GPR4 antagonist 3b - Moligand™ , Antagonist of GPR4, CAS No.G610633, Antagonist of GPR4

CAS: G610633 Cat. No.: G610633 PubChem CID: 127043060

GRADE & PURITY Moligand™

Synonyms

compound 3b

Storage

Room temperature

Specifications

Synonyms

compound 3b

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GPR4

Names and Identifiers

• Canonical Smiles: CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C
• IUPAC Name: 3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-8-(piperidin-1-ylmethyl)-6,11-dihydro-5~{H}-benzo[b][1]benzazepine
• InChIKey: YFBWGDXTUXTMEM-UHFFFAOYSA-N
• INCHI: 1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
• Isomeric SMILES: CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=C(CC4)C=C(C=C5)CN6CCCCC6)N=C(C=C2C)C
• PubChem CID: 127043060

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Imidazopyridines Methylpyridines Azepines Aralkylamines Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Imidazopyridine - Azepine - Methylpyridine - Aralkylamine - Benzenoid - Pyridine - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GPR4 Tchem G-protein coupled receptor 4 (2 Activities)

Discover Target: GPR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GPR4 Tchem G-protein coupled receptor 4 (124 Activities)

Discover Target: GPR4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GPR68 Tchem Ovarian cancer G-protein coupled receptor 1 (279 Activities)

Discover Target: GPR68

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action