G Protein Coupled Receptors (GPCRs) perceive many extracellular signals and transduce them to heterotrimeric G proteins, which further transduce these signals intracellular to appropriate downstream effectors and thereby play an important role in various signaling pathways. G proteins are specialized proteins with the ability to bind the nucleotides guanosine triphosphate (GTP) and guanosine diphosphate (GDP). In unstimulated cells, the state of G alpha is defined by its interaction with GDP, G beta-gamma, and a GPCR. Upon receptor stimulation by a ligand, G alpha dissociates from the receptor and G beta-gamma, and GTP is exchanged for the bound GDP, which leads to G alpha activation. G alpha then goes on to activate other molecules in the cell. These effects include activating the MAPK and PI3K pathways, as well as inhibition of the Na+/H+ exchanger in the plasma membrane, and the lowering of intracellular Ca2+ levels.

Most human GPCRs can be grouped into five main families named; Glutamate, Rhodopsin, Adhesion, Frizzled/Taste2, and Secretin, forming the GRAFS classification system.

A series of studies showed that aberrant GPCR Signaling including those for GPCR-PCa, PSGR2, CaSR, GPR30, and GPR39 are associated with tumorigenesis or metastasis, thus interfering with these receptors and their downstream targets might provide an opportunity for the development of new strategies for cancer diagnosis, prevention and treatment. At present, modulators of GPCRs form a key area for the pharmaceutical industry, representing approximately 27% of all FDA-approved drugs.

References:
[1] Moreira IS. Biochim Biophys Acta. 2014 Jan;1840(1):16-33.
[2] Tuteja N. Plant Signal Behav. 2009 Oct;4(10):942-7.
[3] Williams C, et al. Methods Mol Biol. 2009;552:39-50.
[4] Schiöth HB, et al. Gen Comp Endocrinol. 2005 May 15;142(1-2):94-101.
[5] Wu J, et al. Cancer Genomics Proteomics. 2012 Jan;9(1):37-50.


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Epi-Cryptoacetalide

Epi-cryptoacetalide is a natural diterpenoid. Epi-cryptoacetalide reveals high affinity to ER-α and PGE2 receptor (EP2 subtype) with Ki values of 0.3 μM and 1.92 μM, respectively. Epi-cryptoacetalide has anti-endometriosis activities[1].

  • CAS Number: 132152-57-9
  • MF: C18H22O3
  • MW: 286.366
  • Catalog: Prostaglandin Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 464.9±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 199.8±23.3 °C

ROS 234 dioxalate

ROS 234 is a potent H3 antagonist, with a pKB of 9.46 for Guinea-pig ileum H3-receptor, a pKi of 8.90 for Rat cerebral cortex H3-receptor, and a ED50 of 19.12 mg/kg (ip) in ex vivo of Rat cerebral cortex. ROS 234 diaplays poor central access[1][2].

  • CAS Number: 184576-87-2
  • MF: C17H19N5O8
  • MW: 421.36100
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Merigolix

Merigolix is a potent gonadotrophin releasing hormone (GnRH) antagonist[1].

  • CAS Number: 1454272-94-6
  • MF: C36H35F7N4O6
  • MW: 752.68
  • Catalog: GNRH Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Deoxypyridoxine 5'-phosphate

4-Deoxypyridoxine 5'-phosphate is a Pyridoxal 5'-phosphate analogue and a sphingosine 1-phosphate (S1P) inhibitor. 4-Deoxypyridoxine 5'-phosphate inhibits ornithine decarboxylase activity with a Ki of 60 μM. 4-Deoxypyridoxine 5'-phosphate is a competitive inhibitor of the activation of glutamate apodecarboxylase by Pyridoxal 5'-phosphate (Ki of 0.27 μM) and strongly inhibits glutamate-dependent labeling of glutamate decarboxylase[1][2][3].

  • CAS Number: 883-84-1
  • MF: C8H12NO5P
  • MW: 233.15800
  • Catalog: LPL Receptor
  • Density: 1.499g/cm3
  • Boiling Point: 567.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 297.1ºC

Timepidium bromide

SA504 is an anticholinergic agent.

  • CAS Number: 35035-05-3
  • MF: C17H22BrNOS2
  • MW: 400.39700
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5'-(N-Cyclopropyl)carboxamidoadenosine

5'-(N-Cyclopropyl)carboxamidoadenosine (CPCA) is an adenosine A2 receptor agonist[1].

  • CAS Number: 50908-62-8
  • MF: C13H16N6O4
  • MW: 320.30400
  • Catalog: Adenosine Receptor
  • Density: 2.09g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

K-Ras G12C-IN-1

K-Ras G12C-IN-1 is a novel and irreversible inhibitor of mutant K-ras G12C extracted from patent WO 2014152588 A1.IC50 value:Target: K-ras G12C inhibitor

  • CAS Number: 1629265-17-3
  • MF: C22H23Cl2N3O3
  • MW: 448.342
  • Catalog: Ras
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 676.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 362.8±31.5 °C

Desisobutyryl-ciclesonide

Desisobutyryl-ciclesonide is the active metabolite of Ciclesonide. Desisobutyryl-ciclesonide has affinity for the glucocorticoid receptor.

  • CAS Number: 161115-59-9
  • MF: C28H38O6
  • MW: 470.59800
  • Catalog: Glucocorticoid Receptor
  • Density: 1.284g/cm3
  • Boiling Point: 640.778ºC at 760 mmHg
  • Melting Point: 129-132ºC
  • Flash Point: 211.522ºC

IRL-1620 TFA

IRL-1620 is a potent and selective endothelin receptor type B (ETB) agonist with a Ki of 16 pM.

  • CAS Number: 142569-99-1
  • MF: C86H117N17O27
  • MW: 1820.947
  • Catalog: Peptides
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 2096.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1221.8±34.3 °C

BAY-X 1005

Veliflapon (BAY X 1005; DG-031) is an orally active inhibitor of the synthesis of the leukotrienes B4 and C4[1]. Veliflapon is shown to be a selective inhibitor of the formation of 5-lipoxygenase-derived metabolites in vitro, without effects on other routes of arachidonic acid metabolism[2].

  • CAS Number: 128253-31-6
  • MF: C23H23NO3
  • MW: 361.43400
  • Catalog: Leukotriene Receptor
  • Density: 1.242g/cm3
  • Boiling Point: 555.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 289.7ºC

AVE 0991 sodium salt

AVE 0991 sodium salt is a nonpeptide and orally active Ang-(1-7) receptor Mas agonist. AVE 0991 competes for high-affinity binding of [125I]-Ang-(1-7) to bovine aortic endothelial cell membranes with IC50 of 21±35 nM.

  • CAS Number: 306288-04-0
  • MF: C29H31N4NaO5S2
  • MW: 602.70
  • Catalog: Angiotensin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

S-15535

S-15535 is a highly selective 5-HT1A receptor ligand. S-15535 is an antagonist of postsynaptic 5-HT1A receptors and an agonist of presynaptic 5-HT1A receptors. S-15535 can be used in research on psychiatric disorders, such as anti-anxiety[1].

  • CAS Number: 146998-34-7
  • MF: C21H24N2O2
  • MW: 336.42700
  • Catalog: 5-HT Receptor
  • Density: 1.228g/cm3
  • Boiling Point: 504.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 148.9ºC

Lys-(Des-Arg9,Leu8)-Bradykinin trifluoroacetate salt

Lys-(Des-Arg9,Leu8)-Bradykinin is a bradykinin B1 receptor antagonist[1].

  • CAS Number: 71800-37-8
  • MF: C47H75N13O11
  • MW: 998.18
  • Catalog: Bradykinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Desmethyl-YM 298198

Desmethyl-YM-298198 hydrochloride is a high-affinity, selective, and noncompetitive mGluR1 antagonist (IC50: 16 nM). Desmethyl-YM-298198 hydrochloride has analgesic effect in Streptozotocin (HY-13753)-induced hyperalgesic mice[1].

  • CAS Number: 1177767-57-5
  • MF: C17H21ClN4OS
  • MW: 364.89
  • Catalog: mGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

p-MPPI hydrochloride

p-MPPI hydrochloride is a selective 5-HT1A receptor antagonist with high affinity for 5-HT1A receptors. p-MPPI hydrochloride can crosses the blood-brain barrier, and has clear antidepressant and anxiolytic-like effects[1][2].

  • CAS Number: 220643-77-6
  • MF: C25H28ClIN4O2
  • MW: 578.87300
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 657.5ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.4ºC

Sodium Ferulate

Ferulic acid (4-hydroxy-3-methoxycinnamic acid) is a phenolic compound present in several plants with claimed beneficial effects in prevention and treatment of disorders linked to oxidative stress and inflammation.IC50 value:Target: 5-HT ReceptorIn vitro: In the present study we have showed that pre-treatment with Ferulic Acid (FA) reduces NO accumulation in the culture medium of LPS-induced macrophage cells. Moreover, real-time experiments have revealed that FA has an inhibitory effect at the transcriptional level on the expression of some inflammatory mediators such as IL-6, TNF-α and iNOS and an activation effect on the expression of some antioxidant molecules such as Metallothioneins (MT-1, MT-2). Importantly, we have found that FA reduced the translocation of NF-E2-related factor 2 (Nrf2) and nuclear transcription factor-κB (NF-κB) into the nuclei through a reduction of the expression of phosphorylated IKK and consequently inhibited IL-6 and NF-κB promoter activity in a luciferase assay [1]. FA treatment significantly, although not completely, protected the cells against lead acetate-induced neurite outgrowth inhibition. The effects of FA could be blocked by PD98059, zinc protoporphyrin (Zn-PP), and Nrf2 shRNA. In addition, FA induced heme oxygenase 1 (HO-1) gene expression, enhanced antioxidant response element (ARE) promoter activity, promoted ERK1/2 phosphorylation, and Nrf2 translocation in PC12 cells exposed to lead acetate. ERK1/2 locate upstream of Nrf2 and regulate Nrf2-dependent HO-1 expression in antioxidative effects of FA [2].In vivo: We aimed to verify the possible antidepressant-like effect of acute oral administration of Ferulic acid produced an antidepressant-like effect in the FST and TST (0.01–10 mg/kg, p.o.), without ccompanying changes in ambulation. The pretreatment of mice with WAY100635 (0.1 mg/kg, s.c., a selective 5-HT1A receptor ntagonist) or ketanserin (5 mg/kg, i.p., a 5-HT2A receptor ntagonist) was able to reverse the anti-immobility effect of ferulicacid (0.01 mg/kg, p.o.) in the TST. The combination of fluoxetine (5 mg/kg, p.o.), paroxetine (0.1 mg/kg, p.o.) or sertraline (1 mg/kg, p.o.) with a sub-effective dose of ferulic acid (0.001 mg/kg, p.o.) produced a synergistic antidepressant-like effect in the TST, without causing hyperlocomotion in the open-field test. ferulic acid in the forced swimming test (FST) and tail suspension test (TST) in mice [3].

  • CAS Number: 24276-84-4
  • MF: C10H9NaO4
  • MW: 216.166
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 372.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 150.5ºC

Ras modulator-1

Ras modulator-1 is a modulator of Ras. Ras modulator-1 is an active compound extracted from patent US20120302581[1].

  • CAS Number: 623935-08-0
  • MF: C29H21N5O4S
  • MW: 535.57
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PQ 69

PQ-69 is a potent and selective adenosine A1 receptor antagonist with inverse agonist activity. PQ-69 binds to hA1 receptor with a Ki value of 0.96 nM, is 217-fold more selective compared with hA2A receptors (Ki=208 nM) and >1,000-fold selectivity over hA3 receptor (Ki >100 μM). PQ-69 can be used for the research of renal dysfunction[1].

  • CAS Number: 910045-32-8
  • MF: C20H19FN4O
  • MW: 350.39
  • Catalog: Adenosine Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 553.1±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 288.3±32.9 °C

NGD-4715

NGD-4715 is a selective and orally active melanin-concentrating hormone receptor 1 (MCHR1) antagonist .

  • CAS Number: 476322-70-0
  • MF: C19H24BrN3O3
  • MW: 422.31600
  • Catalog: MCHR1 (GPR24)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Terazosin hydrochloride dihydrate

Terazosin Hydrochloride dihydrate is a selective alpha1-antagonist used for treatment of symptoms of benign prostatic hyperplasia (BPH).Target: Alpha-1 Adrenergic ReceptorTerazosin Hydrochloride dihydrate is an a1-selective blocker. Its inhibitory effect on prostate tumor growth may be the result of antiangiogenic activity. Terazosin Hydrochloride dihydrate is an inhibitor of α1A-AR, α1B-AR, α1D-AR and α2B-AR [1].

  • CAS Number: 70024-40-7
  • MF: C19H30ClN5O6
  • MW: 459.924
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 664.5ºC at 760 mmHg
  • Melting Point: 215 - 217ºC
  • Flash Point: N/A

Edg-2 receptor inhibitor 1

SAR-100842 is a lysophaphatidic acid 1 (LPA1/Edg-2) receptor inhibitor.

  • CAS Number: 1195941-38-8
  • MF: C27H27NO5
  • MW: 445.507
  • Catalog: LPL Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 659.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.3±31.5 °C

Umeclidinium (bromide)

Umeclidinium bromide is a novel mAChR antagonist. The affinity (Ki) of Umeclidinium bromide for the cloned human M1-M5 mAChRs ranges from 0.05 to 0.16 nM.

  • CAS Number: 869113-09-7
  • MF: C29H34BrNO2
  • MW: 508.490
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(±)-Darifenacin-d4

(±)-Darifenacin-d4 is deuterium labeled (±)-Darifenacin. (±)-Darifenacin is the racemate of Darifenacin. Darifenacin is a selective M3 muscarinic receptor antagonist[1].

  • CAS Number: 1189701-43-6
  • MF: C28H26D4N2O2
  • MW: 430.57
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

clidinium bromide

Clidinium bromide is an anticholinergic (specifically a muscarinic antagonist) drug, may help symptoms of cramping and abdominal/stomach pain by decreasing stomach acid, and slowing the intestines.

  • CAS Number: 3485-62-9
  • MF: C22H26BrNO3
  • MW: 432.351
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 240-241°C
  • Flash Point: N/A

Risperidone

Risperidone is a serotonin 5-HT2 receptor blocker, P-Glycoprotein inhibitor and potent dopamine D2 receptor antagonist, with Kis of 4.8, 5.9 nM for 5-HT2A and dopamine D2 receptor, respectively.

  • CAS Number: 106266-06-2
  • MF: C23H27FN4O2
  • MW: 410.484
  • Catalog: 5-HT Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 572.4±60.0 °C at 760 mmHg
  • Melting Point: 170°C
  • Flash Point: 300.0±32.9 °C

Darbufelone mesilate

Darbufelone mesylate is a dual inhibitor of cellular PGF2α and LTB4 production. Darbufelone potently inhibits PGHS-2 (IC50 = 0.19 μM) but is much less potent with PGHS-1 (IC50= 20 μM).

  • CAS Number: 139340-56-0
  • MF: C19H28N2O5S2
  • MW: 428.56600
  • Catalog: Leukotriene Receptor
  • Density: N/A
  • Boiling Point: 448.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 225.1ºC

NKH477

NKH477 (Colforsin dapropate hydrochloride) is a novel water-soluble forskolin derivative that improves cardiac failure mainly through its beneficial effects on diastolic cardiac function. NKH477 directly activates the catalytic unit of adenylate cyclase and increases intracellular cAMP. NKH477 exerts an antiproliferative effect in vivo with an altered cytokine profile to inhibit the acute rejection of rat orthotopic lung allografts[1].

  • CAS Number: 138605-00-2
  • MF: C27H44ClNO8
  • MW: 546.093
  • Catalog: Adenylate Cyclase
  • Density: N/A
  • Boiling Point: 571.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 176ºC

PF-3893787 hydrochloride

PF-3893787 hydrochloride is a novel histamine H4 receptor antagonist binding affinity (Ki=2.4 nM) and is also a functional (Ki=1.56 nM) antagonist.

  • CAS Number: 2096455-90-0
  • MF: C13H25Cl3N6
  • MW: 371.74
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cinanserin hydrochloride

Cinanserin hydrochloride (SQ 10643) is a potent, selective and highly affinity 5-HT2 receptor antagonist with a Ki of 41 nM. Cinanserin hydrochloride has a much higher binding affinity for the 5-HT2 than for the 5-HT1 receptor (Ki of 3500 nM). Cinanserin is also an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus and strongly reduces virus replication in vitro[1][2][3].

  • CAS Number: 54-84-2
  • MF: C20H25ClN2OS
  • MW: 376.94300
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: 519.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 268ºC

Hydroxyzine-d8 (hydrochloride)

Hydroxyzine-d8 Dihydrochloride is the deuterium labeled Hydroxyzine dihydrochloride. Hydroxyzine dihydrochloride, a benzodiazepine antihistamine agent, acts as a orally active histamine H1-receptor and serotonin antagonist. Hydroxyzine dihydrochloride has anxiolytic effect and can be used forthe research of generalised anxiety disorder[1][2].

  • CAS Number: 1808202-93-8
  • MF: C21H21D8Cl3N2O2
  • MW: 455.875
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A