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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Efflux inhibitor-1

Efflux inhibitor-1 (compound 2) is a pyrazolo[1,5-a]pyrimidine efflux inhibitor. Efflux inhibitor-1 selectively targets toward ABCG2/BCRP over ABCB1 with IC50s of 0.45 μM and 2.17 μM, respectively[1].

  • CAS Number: 1776055-29-8
  • MF: C28H25N5O3
  • MW: 479.53
  • Catalog: BCRP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Licarbazepine-d4-1

Licarbazepine-d4-1 is deuterium labeled Licarbazepine. Licarbazepine (BIA 2-005; GP 47779) is a voltage-gated sodium channel blocker with anticonvulsant and mood-stabilizing effects[1].

  • CAS Number: 1188265-49-7
  • MF: C15H10D4N2O2
  • MW: 258.31
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

A 425619

A-425619, a potent and selective TRPV1 receptor antagonist, is effective in alleviating acute and chronic inflammatory pain and postoperative pain[1].

  • CAS Number: 581809-67-8
  • MF: C18H14F3N3O
  • MW: 345.31800
  • Catalog: TRP Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SERCA2a activator 1

SERCA2a activator A is a novel sarco/endoplasmic reticulum Ca2+-dependent ATPase 2a (SERCA2a) activator that activates the Ca2+-dependent ATPase activity of cardiac SR vesicles but not that of skeletal muscle SR vesicles that lack of phospholamban (PLN); binds to PLN (Kd=75 uM), attenuates its inhibition of SERCA2a; enhances systolic and diastolic functions in rat hearts.

  • CAS Number: 2139330-34-8
  • MF: C32H29N3O4S
  • MW: 551.661
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

JTV-519 free base

JTV-519 free base (K201 free base) is a Ca2+-dependent blocker of sarcoplasmic reticulum Ca2+-stimulated ATPase (SERCA) and a partial agonist of ryanodine receptors in striated muscle. Cardioprotective agent[1].

  • CAS Number: 145903-06-6
  • MF: C25H32N2O2S
  • MW: 424.59900
  • Catalog: Calcium Channel
  • Density: 1.153 g/cm3
  • Boiling Point: 615.133ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.821ºC

(±)-threo-3-Methylglutamic acid

(±)-threo-3-Methylglutamic acid is a potent EAAT2/4 inhibitor. (±)-threo-3-Methylglutamic acid also is an ionotropic glutamate receptor agonist. (±)-threo-3-Methylglutamic acid inhibits glutamate uptake by rod outer segments[1][2].

  • CAS Number: 63088-04-0
  • MF: C6H11NO4
  • MW: 161.15600
  • Catalog: EAAT2
  • Density: 1.329g/cm3
  • Boiling Point: 329.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 153ºC

GNE-131

GNE-131 is a potent and selective inhibitor of human sodium channel NaV1.7, with an IC50 of 3 nM.

  • CAS Number: 1629063-81-5
  • MF: C23H30N4O3S
  • MW: 442.57
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lei-Dab 7 TFA

Lei-Dab7 is a high affinity, selective KCa2.2 (SK2) channel blocker (Kd=3.8 nM). Lei-Dab7 exhibits >200-fold selectivity for KCa2.2 over KCa2.1, KCa2.3, KCa3.1, Kv and Kir2.1. Lei-Dab7 increases theta-burst responses and increases LTP in rat hippocampal slices in vitro.

  • CAS Number: 1061556-49-7
  • MF: C141H236N46O39S6
  • MW: 3394.07
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-(+)-Bay K 8644

Bay-K-8644 (R)-(+)- is a calcium channel inhibitor. Bay-K-8644 (R)-(+)- inhibits Ba2+ currents (IBa) (IC50=975 nM).

  • CAS Number: 98791-67-4
  • MF: C16H15F3N2O4
  • MW: 356.297
  • Catalog: Calcium Channel
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 429.2±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 213.4±28.7 °C

Mitiglinide

Mitiglinide (KAD-1229), an insulinotropic agent, is an ATP-sensitive K+ (KATP) channel antagonist. Mitiglinide is highly specific to the Kir6.2/SUR1 complex (the pancreatic beta-cell KATP channel). Mitiglinide can be used for the research of type 2 diabetes[1][2].

  • CAS Number: 145375-43-5
  • MF: C19H25NO3
  • MW: 315.41
  • Catalog: Potassium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 519.6±43.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 268.0±28.2 °C

pantoprazole

Pantoprazole(SKF96022; Protonix) is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease.IC50 value:Target: proton pump inhibitor

  • CAS Number: 102625-70-7
  • MF: C16H15F2N3O4S
  • MW: 383.370
  • Catalog: Proton Pump
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 586.9±60.0 °C at 760 mmHg
  • Melting Point: 139-140ºC, decomposes
  • Flash Point: 308.7±32.9 °C

NS 9283

NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].

  • CAS Number: 913830-15-6
  • MF: C14H8N4O
  • MW: 248.24000
  • Catalog: nAChR
  • Density: 1.37±0.1 g/cm3(20 °C , 760mmHg)
  • Boiling Point: 469.9±55.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

(R)-BPO-27

(R)-BPO-27 is a potent CFTR inhibitor with an IC50 of 4 nM.

  • CAS Number: 1415390-47-4
  • MF: C26H18BrN3O6
  • MW: 548.34
  • Catalog: CFTR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Valspodar

Valspodar is a P-glycoprotein (P-gp) inhibitor widely used as overcoming multidrug resistance modulator.

  • CAS Number: 121584-18-7
  • MF: C63H111N11O12
  • MW: 1214.622
  • Catalog: P-glycoprotein
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 1290.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 734.0±34.3 °C

Nelonicline citrate

Nelonicline (ABT-126) citrate is an orally active and selective α7 nicotinic receptor agonist with high affinity to α7 nAChRs in human brain (Ki=12.3 nM). Nelonicline citrate is used for the research of shizophrenia and Alzheimer's disease[1][2][3].

  • CAS Number: 1026136-84-4
  • MF: C23H27N3O8S
  • MW: 505.54
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ASP 2535

A potent, selective, brain permeable, orally available glycine transporter-1 (GlyT1) inhibitor with IC50 of 92 nM (rat GlyT1), 50-fold selectivity over GlyT2; shows minimal affinity for many other receptors except for μ-opioid receptors (IC50=1.83 uM); inhibits ex vivo [(3)H]-glycine uptake in mouse cortical homogenate, improves cognition in animal models of cognitive impairment in schizophrenia and Alzheimer's disease. Schizophrenia Phase 1 Discontinued

  • CAS Number: 374886-51-8
  • MF: C22H18N6O
  • MW: 382.418
  • Catalog: GlyT
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 607.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.1±34.3 °C

Phloretin

Phloretin(NSC 407292; RJC 02792) is a dihydrochalcone, a type of natural phenols. Phloretin inhibits the active transport of glucose into cells by SGLT1 and SGLT2.IC50 Value: 49 +/- 12 microM [4]Target: SGLT1/2in vitro: Phlorizin blocks glucose transport across the renal tubule at concentrations in renal blood and tissue in the range of 10-5 to 10-7 M [1]. PT significantly enhanced glycerol release and inhibited the adipogenesis-related transcription factors. PT also promoted phosphorylation of AMP-activated protein kinase and increased activity of adipose triglyceride lipase and hormone-sensitive lipase in 3T3-L1 cells [2]. Phloretin induced obvious cytotoxicity against BEL-7402 cells with IC50 of 89.23 microg/mL. The growth curve demonstrated decreased growth of the cells as phloretin concentration increased [3]. D-glucose-transport activity was observed with a Km for D-glucose of 3.4 +/- 0.2 mM (mean +/- S.E.M.) and was inhibited by cytochalasin B (IC50= 0.44 +/- 0.03 microM), HgCl2 (IC50)= 3.5 +/- 0.5 microM), phloretin (IC50= 49 +/- 12 microM) and phloridzin (IC50= 355 +/- 67 microM) [4].in vivo: The effect of phloridzin orally doses 5, 10, 20 and 40 mg/kg body weight on diabetes was tested in a streptozotocin-induced rat model of diabetes type 1. From beneficial effect of this compound is significant reduction of blood glucose levels and improve dyslipidemia in diabetic rats [5].

  • CAS Number: 60-82-2
  • MF: C15H14O5
  • MW: 274.269
  • Catalog: SGLT
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 534.4±29.0 °C at 760 mmHg
  • Melting Point: ~260 °C
  • Flash Point: 291.1±20.8 °C

Aneratrigine hydrochloride

Aneratrigine (hydrochloride) is a sodium channel protein type 9 subunit alpha blocker. Aneratrigine (hydrochloride) can be used for neuropathic pain diseases research[1].

  • CAS Number: 2097163-75-0
  • MF: C19H21Cl2F2N5O2S2
  • MW: 524.44
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ML 365

ML365 is a novel selective small molecule inhibitor of TASK1(KCNK3) with IC50 of 4 nM(thallium influx fluorescent assay) and 16 nM(automated electrophysiology assay).IC50 value: 4 nM/16 nM(thallium influx fluorescent assay/automated electrophysiology assay) [1]Target: KCNK3 blockerML365 possesses more than 60-fold selectivity for inhibition of TASK1 over a closely-related, two-pore domain potassium channel, TASK3. ML365 displays little or no inhibition at 30 μM of more distantly related potassium channels, Kir2.1, potassium voltage-gated channel, KQT-like subfamily, member 2 (KCNQ2), and human ether-a go-go-related gene (hERG). Based on these criteria, ML365 is a best-in-class probe and is a useful pharmacological probe for in vitro studies of TASK1 function and in further studies aimed at developing therapeutic intervention.

  • CAS Number: 947914-18-3
  • MF: C22H20N2O3
  • MW: 360.40600
  • Catalog: Potassium Channel
  • Density: 1.253±0.06 g/cm3 (20 °C, 760 mmHg)
  • Boiling Point: 429.9±40.0 °C (760 mmHg)
  • Melting Point: N/A
  • Flash Point: N/A

Kaliotoxin (1-37)

Kaliotoxin (1-37) is a toxin from the scorpion Artdroctonus mauretanicus mauretanicus. Kaliotoxin (1-37) is a potent calcium-dependent potassium channel blocker[1].

  • CAS Number: 150769-72-5
  • MF: C165H271N53O48S8
  • MW: 4018.82
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-SNAP 5114

(S)-SNAP5114 is a selective GABA transport inhibitor, with IC50 values of 5 μM and 21 μM for hGAT-3 and rGAT-2, respectively. (S)-SNAP5114 is an anticonvulsant drug[1][2].

  • CAS Number: 157604-55-2
  • MF: C30H35NO6
  • MW: 505.60
  • Catalog: GABA Receptor
  • Density: 1.175g/cm3
  • Boiling Point: 643.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 343.2ºC

Isoxsuprine hydrochloride

Isoxsuprine hydrochloride is a beta-adrenergic receptor agonist with Kis of 13.65 μΜ and 3.48 μΜ for myometrial and placcntal beta-adrenergic receptor, respectively. Isoxsuprine hydrochloride is also a NMDA receptor antagonist.

  • CAS Number: 579-56-6
  • MF: C18H24ClNO3
  • MW: 337.84100
  • Catalog: Adrenergic Receptor
  • Density: 1.146g/cm3
  • Boiling Point: 484.2ºC at 760mmHg
  • Melting Point: 203-204°
  • Flash Point: 246.6ºC

Acamprosate-d3 (calcium salt)

Acamprosate D3 calcium is the deuterium labeled Acamprosate calcium. Acamprosate calcium is a GABA receptor agonist and modulator of glutamatergic systems[1][2].

  • CAS Number: 1225580-94-8
  • MF: C5H7CaD3NO4S
  • MW: 223.29900
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ABT-089

Pozanicline (ABT-089) selectively activate neuronal nicotinic acetylcholine receptor (nAChR) subtypes, is a novel cholinergic agent that is a partial agonist at α4β2* nAChRs (Ki=16 nM) and shows high selectivity for α6β2* and α4α5β2 nAChR subtypes, the binding affinity (Ki, rat) for Pozanicline to [3H] cytisine sites is 16.7 nM.Pozanicline reverses nicotine withdrawal-induced cognitive deficits, may be an effective component of novel therapeutic strategies for nicotine addiction[1].

  • CAS Number: 161417-03-4
  • MF: C11H16N2O
  • MW: 192.25800
  • Catalog: nAChR
  • Density: 1.046g/cm3
  • Boiling Point: 302.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 136.9ºC

MONIRO-1

MONIRO-1 is a T-type and N-type calcium channel blocker with IC50 values of 34, 3.3, 1.7 and 7.2 µM against hCav2.2, hCav3.1, hCav3.2 and hCav3.3, respectively[1].

  • CAS Number: 1909225-94-0
  • MF: C23H24ClFN4O3
  • MW: 458.91
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zelquistinel

Zelquistinel is a N-methyl-D-aspartate (NMDA) receptor partial agonist used for the research of depression, anxiety and other related psychiatric disorders[1].

  • CAS Number: 2151842-64-5
  • MF: C15H25N3O5
  • MW: 327.38
  • Catalog: iGluR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 564.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 294.9±30.1 °C

Acetamiprid

Acetamiprid is a neonicotinoid insecticide used worldwide. Acetamiprid is a nicotinic acetylcholine receptor (nAChR) agonist, and is shown to be associated with neuromuscular and reproductive disorders[1][2].

  • CAS Number: 135410-20-7
  • MF: C10H11ClN4
  • MW: 222.674
  • Catalog: nAChR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 352.4±52.0 °C at 760 mmHg
  • Melting Point: 101-103ºC
  • Flash Point: 166.9±30.7 °C

Glycine-2-13C,15N

Glycine-2-13C,15N is the 13C- and 15N-labeled Glycine. Glycine is an inhibitory neurotransmitter in the CNS and also acts as a co-agonist along with glutamate, facilitating an excitatory potential at the glutaminergic N-methyl-D-aspartic acid (NMDA) receptors.

  • CAS Number: 91795-59-4
  • MF: C13CH515NO2
  • MW: 75.067
  • Catalog: iGluR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 240.9±23.0 °C at 760 mmHg
  • Melting Point: 240ºC (dec.)(lit.)
  • Flash Point: 99.5±22.6 °C

Simpinicline

Simpinicline (OC-02), a highly selective nicotinic acetylcholine receptor (nAChR) agonist, shows potent antiviral activity against the SARS-CoV-2 variants in cell culture with an IC50 of 0.04 µM[1].

  • CAS Number: 753015-44-0
  • MF: C10H13N3
  • MW: 175.23
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nilvadipine

Nilvadipine is a potent calcium channel antagonist, and the IC50 value is around 0.1 nM.

  • CAS Number: 75530-68-6
  • MF: C19H19N3O6
  • MW: 385.371
  • Catalog: Calcium Channel
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 526.7±50.0 °C at 760 mmHg
  • Melting Point: 148-150ºC
  • Flash Point: 272.3±30.1 °C