Most of molecules enter or leave cells mainly via membrane transport proteins, which play important roles in several cellular functions, including cell metabolism, ion homeostasis, signal transduction, binding with small molecules in extracellular space, the recognition process in the immune system, energy transduction, osmoregulation, and physiological and developmental processes. There are three major types of transport proteins, ATP-powered pumps, channel proteins and transporters.

ATP-powered pumps are ATPases that use the energy of ATP hydrolysis to move ions or small molecules across a membrane against a chemical concentration gradient or electric potential. Channel proteins transport water or specific types of ions down their concentration or electric potential gradients. Many other types of channel proteins are usually closed, and open only in response to specific signals. Because these types of ion channels play a fundamental role in the functioning of nerve cells. Transporters, a third class of membrane transport proteins, move a wide variety of ions and molecules across cell membranes. Membrane transporters either enhance or restrict drug distribution to the target organs. Depending on their main function, these membrane transporters are divided into two categories: the efflux (export) and the influx (uptake) transporters.

Transport proteins such as channels and transporters play important roles in the maintenance of intracellular homeostasis, and mutations in these transport protein genes have been identified in the pathogenesis of a number of hereditary diseases. In the central nervous system ion channels have been linked to many diseases such, but not limited to, ataxias, paralyses, epilepsies, and deafness indicative of the roles of ion channels in the initiation and coordination of movement, sensory perception, and encoding and processing of information. Furthermore, drug transporters can serve as drug targets or as a mechanism to facilitate drug delivery to cells and tissues.

References:
[1] Sadée W, et al. Pharm Res. 1995 Dec;12(12):1823-37.
[2] Girardin F. Dialogues Clin Neurosci. 2006;8(3):311-21.
[3] Zaydman MA, et al. Chem Rev. 2012 Dec 12;112(12):6319-33.
[4] Mishra NK, et al. PLoS One. 2014 Jun 26;9(6):e100278.


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DMCM hydrochloride

DMCM (hydrochloride) is Benzodiazepine inverse agonist that displays anxiogenic and potent convulsant activity.The reference for administration is ranging 0.4 from 0.8 mg/kg .DMCM (hydrochloride) was shown to bind to GABAA/benzodiazepine receptors in the rat brain with high affinity.DMCM (hydrochloride) can inhibit pain and learning in rats.

  • CAS Number: 1215833-62-7
  • MF: C17H19ClN2O4
  • MW: 350.79700
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gabapentin enacarbil

Gabapentin enacarbil (XP-13512) is a prodrug for the anticonvulsant and analgesic drug gabapentin.IC50 Value: Target: Calcium ChannelGabapentin enacarbil is an actively transported prodrug of gabapentin that provides sustained dose-proportional exposure to gabapentin and predictable bioavailability.in vitro: The prodrug (XP-13512) demonstrated active apical to basolateral transport across Caco-2 cell monolayers and pH-dependent passive permeability across artificial membranes. XP13512 inhibited uptake of (14)C-lactate by human embryonic kidney cells expressing monocarboxylate transporter type-1, and direct uptake of prodrug by these cells was confirmed using liquid chromatography-tandem mass spectrometry. XP13512 inhibited uptake of (3)H-biotin into Chinese hamster ovary cells overexpressing human sodium-dependent multivitamin transporter (SMVT) [1].in vivo: In 4 studies of healthy volunteers (136 subjects total), the pharmacokinetics of XP13512 immediate- and extended-release formulations were compared with those of oral gabapentin. XP13512 immediate-release (up to 2800 mg single dose and 2100 mg twice daily) was well absorbed (>68%, based on urinary recovery of gabapentin), converted rapidly to gabapentin, and provided dose-proportional exposure, whereas absorption of oral gabapentin declined with increasing doses to <27% at 1200 mg. Compared with 600 mg gabapentin, an equimolar XP13512 extended-release dose provided extended gabapentin exposure (time to maximum concentration, 8.4 vs 2.7 hours) and superior bioavailability (74.5% vs 36.6%) [2].Toxicity: Gabapentin's most common side effects in adult patients include dizziness, fatigue, weight gain, drowsiness, and peripheral edema (swelling of extremities).

  • CAS Number: 478296-72-9
  • MF: C16H27NO6
  • MW: 329.389
  • Catalog: Calcium Channel
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 482.0±20.0 °C at 760 mmHg
  • Melting Point: 65ºC
  • Flash Point: 245.3±21.8 °C

2'-O-Methylisoliquiritigenin

2'-O-Methylisoliquiritigenin, isolated from the Arachis species, up-regulates 5-HT, NE, DA and GABA pathways, but does not put a very significant effect on ne NE pathway[1].

  • CAS Number: 51828-10-5
  • MF: C16H14O4
  • MW: 270.280
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 527.1±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 200.5±23.6 °C

Mavatrep

Mavatrep is an orally bioavailable TRPV1 antagonist (Ki=6.5 nM), exhibits minimal effect on the enzymatic activity (IC50 > 25 μM) of CYP isoforms 3A4, 1A2, and 2D6.IC50 value: 6.5 nM (Ki, for TRPV1)Target: TRPV1in vitro: Mavatrep exhibits superior pharmacodynamic properties. In a TRPV1 functional assay, using cells expressing recombinant human TRPV1 channels, Mavatrep antagonizes capsaicin-induced Ca2+ influx, with an IC50 value of 4.6 nM. Mavatrep blocks the activation of hTRPV1 channels by Capsaicin (1 μM) and by pH (5.0) in a concentration-dependent fashion, with IC50 values of 23 and 6.8 nM, respectively. in vivo: Mavatrep exhibits superior pharmacodynamic properties in the CFA model of inflammatory pain.

  • CAS Number: 956274-94-5
  • MF: C25H21F3N2O
  • MW: 422.44200
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PPQ 102

PPQ-102 is a potent CFTR inhibitor which can completely inhibited CFTR chloride current with IC50 of ~90 nM. IC50 value: 90 nM [1]Target: CFTRin vitro: The most potent compound, 7,9-dimethyl-11-phenyl-6-(5-methylfuran-2-yl)-5,6-dihydro-pyrimido[4',5'-3,4]pyrrolo[1,2-a]quinoxaline-8,10-(7H,9H)-dione, PPQ-102, completely inhibited CFTR chloride current with IC(50) approximately 90 nM. The PPQs, unlike prior CFTR inhibitors, are uncharged at physiological pH, and therefore not subject to membrane potential-dependent cellular partitioning or block efficiency. Patch-clamp analysis confirmed voltage-independent CFTR inhibition by PPQ-102 and showed stabilization of the channel closed state [1]. The three gpSlc26 anion transporters exhibited distinct pharmacological profiles of (36)Cl(-) influx, including partial sensitivity to CFTR inhibitors Inh-172 and GlyH101, but only Slc26a11 was inhibited by PPQ-102 [2]. Airway epithelial NCI-H292 cells and primary cultures of noncystic fibrosis human airway epithelial cells were treated with cystic fibrosis transmembrane conductance regulator (CFTR) inhibitors (CFTR-inh(172) or PPQ-102) or transfected with a CFTR small interfering (si)RNA with or without a selective epidermal growth factor receptor tyrosine kinase inhibitor [3].in vivo: PPQ-102 prevented cyst expansion and reduced the size of preformed cysts in a neonatal kidney organ culture model of polycystic kidney disease. PPQ-102 is the most potent CFTR inhibitor identified to date [1].

  • CAS Number: 931706-15-9
  • MF: C26H22N4O3
  • MW: 438.478
  • Catalog: CFTR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 648.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 346.1±34.3 °C

Reversan

Reversan (CBLC4H10) is a potent and nontoxic multidrug resistance-associated protein 1 (MRP1) and P-glycoprotein (Pgp) inhibitor[1][2].

  • CAS Number: 313397-13-6
  • MF: C26H27N5O2
  • MW: 441.52
  • Catalog: P-glycoprotein
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Puliginurad

Puliginurad (YL-90148) is a potent urate transporter (URAT) inhibitor. Puliginurad can be used for hyperuricemia and gout research[1].

  • CAS Number: 2013582-27-7
  • MF: C19H16N2O2S
  • MW: 336.41
  • Catalog: URAT1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(7S)-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one

Funapide (TV 45070; XEN402) is a potent Sodium Channel Nav1.7 inhibitor.

  • CAS Number: 1259933-16-8
  • MF: C22H14F3NO5
  • MW: 429.34500
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Miltirone

Miltirone is a natural compound present in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 μM[1].

  • CAS Number: 27210-57-7
  • MF: C19H22O2
  • MW: 282.377
  • Catalog: GABA Receptor
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 421.6±45.0 °C at 760 mmHg
  • Melting Point: 98-100℃ (hexane )
  • Flash Point: 179.4±14.4 °C

(±)-Anatoxin A fumarate

(±)-Anatoxin A fumarate is a natural alkaloid isolated from freshwater cyanobacterium.(±)-Anatoxin A fumarate is a potent nicotinic receptor agonist and exhibits Ki values of 1.25 nM and 1.84 μM for binding to putative α4β2-type nAChR and α7-type nAChR in rat brain membranes, respectively. (±)-Anatoxin A fumarate stimulates [3H]-dopamine release from rat striatal synaptosomes (EC50=134 nM)[1].

  • CAS Number: 1219922-30-1
  • MF: C14H19NO5
  • MW: 281.304
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VX-150

VX-150 is an orally active, highly selective NaV1.8 inhibitor. VX-150 has the potential for various pain indications research[1].

  • CAS Number: 1793080-72-4
  • MF: C21H17F4N2O7P
  • MW: 516.34
  • Catalog: Sodium Channel
  • Density: 1.59±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Terodiline

Terodiline is an M1-selective muscarinic receptor (mAChR) antagonist with Kbs of 15, 160, 280, and 198 nM in rabbit vas deferens (M1), atria (M2), bladder (M3) and ileal muscle (M3), respectively. Terodiline also is a Ca2+ blocker. Terodiline acts as a treatment for urinary frequency and urge incontinence[1].

  • CAS Number: 15793-40-5
  • MF: C20H27N
  • MW: 281.44
  • Catalog: mAChR
  • Density: 0.956g/cm3
  • Boiling Point: 390.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 168.9ºC

TROX-1

TROX-1 is an N-type calcium channel (CaV2.2) inhibitor with an IC50 value of 0.11 μM. TROX-1 can be used in chronic pain research[1].

  • CAS Number: 1309601-26-0
  • MF: C22H16ClFN6O
  • MW: 434.85
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Methyl-D-aspartic acid

NMDA is a specific agonist for NMDA receptor mimicking the action of glutamate, the neurotransmitter which normally acts at that receptor.

  • CAS Number: 6384-92-5
  • MF: C5H9NO4
  • MW: 147.129
  • Catalog: iGluR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 258.2±30.0 °C at 760 mmHg
  • Melting Point: 187-192 °C
  • Flash Point: 110.0±24.6 °C

Mirogabalin

Mirogabalin (DS-5565) is a novel, preferentially selective α2δ-1 ligand characterized by high potency and selectivity to the α2δ-1 subunit of voltage-sensitive calcium channel complexes in the CNS.

  • CAS Number: 1138245-13-2
  • MF: C12H19NO2
  • MW: 209.28500
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Yoda 1

GlyT2-IN-1 is a glycine transporters GLYT2 inhibitor.Target: GLYT2The Glycine Transporter GlyT2 Controls the Dynamics of Synaptic Vesicle Refilling in Inhibitory Spinal Cord Neurons. GlyT2-IN-1 is a novel agonist of the mechanotransduction channel Piezo1, eliciting Ca2+ flux in Piezo1- but not vector-transfected cells.

  • CAS Number: 448947-81-7
  • MF: C13H8Cl2N4S2
  • MW: 355.265
  • Catalog: GlyT
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 538.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 279.4±32.9 °C

P-gp inhibitor 4

P-gp inhibitor 4 (Compound 8b) is a selective P-glycoprotein modulator with an EC50 of 94 nM. P-gp inhibitor 4 increases drug transport across gastro-intestinal barrier and recovers doxorubicin toxicity in multidrug resistant cancer cells[1].

  • CAS Number: 2652001-05-1
  • MF: C38H38N2O8S2
  • MW: 714.85
  • Catalog: P-glycoprotein
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

S 24795

S 24795 is a partial agonist of α7 nAChR and improves mnemonic function in aged mice for the treatment of aging-related memory disturbances[1].

  • CAS Number: 304679-75-2
  • MF: C14H13BrINO
  • MW: 418.06800
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Coclaurine

Coclaurine is a class of tetrahydroisoquinoline alkaloids isolated from Sarcopetalum harveyanum. Coclaurine is a nicotinic acetylcholine receptor (nAChRs) antagonist[1][2].

  • CAS Number: 486-39-5
  • MF: C17H19NO3
  • MW: 285.338
  • Catalog: nAChR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 496.9±45.0 °C at 760 mmHg
  • Melting Point: 220-221°
  • Flash Point: 254.3±28.7 °C

prenylamine

Prenylamine is a calcium channel blocker of the amphetamine chemical class. Prenylamine can be used as a vasodilator and can be used for the research of angina pectoris[1].

  • CAS Number: 390-64-7
  • MF: C24H27N
  • MW: 329.48
  • Catalog: Calcium Channel
  • Density: 1.023g/cm3
  • Boiling Point: 476.1ºC at 760mmHg
  • Melting Point: 36.5-37.5°
  • Flash Point: 219.4ºC

RO 4938581

RO 4938581 is a potent and selective GABAA α5 inverse agonist, with a Ki of 4.6 nM for GABAA α5β3γ2a, and shows a lower affinity at α1β3γ2a, α2β3γ2a, α3β3γ2a (Ki, 174, 185, 80 nM, respectively); RO 4938581 is used in the research of cognitive dysfunction.

  • CAS Number: 883093-10-5
  • MF: C13H8BrF2N5
  • MW: 352.137
  • Catalog: GABA Receptor
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 559.8±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 292.4±32.9 °C

MRK-898

MRK-898 is an orally active GABA(A) receptor modulator. MRK-898 binds to α1, α2, α3 or α5 subunit of GABA(A) receptor with Ki values of 1.2 nM, 1.0 nM, 0.73 nM, and 0.50 nM, respectively. However, α1-containing GABA(A) receptors are identified as the "sedative" and α2- and/or α3-containing receptors as the "anxiolytic" subtype(s)[1].

  • CAS Number: 461450-30-6
  • MF: C20H9F5N4
  • MW: 400.30
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

fluspirilene

Fluspirilene is a non-competitive antagonist of L-type calcium channels with an IC50 of 0.03 μM. Fluspirileneis a long-acting injectable depot antipsychotic drug used for schizophrenia.

  • CAS Number: 1841-19-6
  • MF: C29H31F2N3O
  • MW: 475.573
  • Catalog: Calcium Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 668.9±55.0 °C at 760 mmHg
  • Melting Point: 187.5-190°
  • Flash Point: 358.3±31.5 °C

Cesium chloride

Cesium chloride is a blocker of potassium channel. Cesium chloride prevents the decrease of Na+ transport produced by Alloxan[1][2]. Cesium chloride has induced cardiac arrhythmias, including torsade de pointes in animal models[3].

  • CAS Number: 7647-17-8
  • MF: CsCl
  • MW: 168.359
  • Catalog: Potassium Channel
  • Density: 3.983
  • Boiling Point: 1290 °C
  • Melting Point: 645 °C(lit.)
  • Flash Point: 1303°C

ICA 110381

ICA 110381 (Compound 16) is a KCNQ2/Q3 potassium channel opener for the treatment of epilepsy. ICA 110381 is a KCNQ2/Q3 agonist (EC50=0.38 μM) as well as KCNQ1 antagonist (IC50=15 μM)[1].

  • CAS Number: 325457-99-6
  • MF: C12H8Cl2N2O
  • MW: 267.11
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Canagliflozin hemihydrate

Canagliflozin 0.5 H2O(JNJ 28431754; TA 7284) is a highly potent and selective SGLT2 inhibitor for hSGLT2 with IC50 of 2.2 nM, exhibits 413-fold selectivity over hSGLT1.IC50 value: 2.2 nMTarget: SGLT2Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an experimental drug being developed by Johnson & Johnson for the treatment of type 2 diabetes.Canagliflozin(JNJ 24831754ZAE; JNJ 28431754; JNJ 28431754AAA; TA 7284) is an inhibitor of subtype 2 sodium-glucose transport protein (SGLT2), which is responsible for at least 90% of the glucose reabsorption in the kidney. Blocking this transporter causes blood glucose to be eliminated through the urine.

  • CAS Number: 928672-86-0
  • MF: C24H26FO5.5S
  • MW: 453.52
  • Catalog: SGLT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Calcium Channel antagonist 2

Calcium Channel antagonist 2 (Compound 154) is a calcium channel antagonist (IC50=5-20 μM). Calcium Channel antagonist 2 can be used in study of calcium channel-mediated diseases such as pain and diabetes[1].

  • CAS Number: 874370-15-7
  • MF: C23H25FN2O4S
  • MW: 444.52
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SOCE inhibitor 1

SOCE inhibitor 1 is a store-operated calcium entry (SOCE) inhibitor with an IC50 of 4.4 μM.

  • CAS Number: 2169316-15-6
  • MF: C25H22F3N5O4
  • MW: 513.47
  • Catalog: CRAC Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CFTR(inh)-172

CFTR(inh)-172 is a potent and selective blocker of the CFTR chloride channel; reversibly inhibited CFTR short-circuit current in less than 2 minutes with a Ki of 300 nM.

  • CAS Number: 307510-92-5
  • MF: C18H10F3NO3S2
  • MW: 409.402
  • Catalog: CFTR
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 555.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 289.9±32.9 °C

µ-Conotoxin BuIIIB

μ-Conotoxin BuIIIB (Mu-Conotoxin BuIIIB) is a mammalian neuronal voltage-gated sodium channel (VGSC) blocker. μ-Conotoxin BuIIIB can be obtained from the venom of Cone snails and is a probe for ion channel function research. μ-Conotoxin BuIIIB can be used in the study of neurological diseases such as pain[1].

  • CAS Number: 1400096-06-1
  • MF: C106H172N46O30S6
  • MW: 2763.18
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A