Compound: 148672-13-3
SMILES: O=C(Nc1cc(N2CCN(C)CC2)c(OC)cc1)c3ccc(-c4c(cc(-c5noc(n5)C)cc4)C)cc3
InChIKey: YDBCEBYHYKAFRX-UHFFFAOYSA-N
Synonyms: 148672-13-3, GR 127935, GR-127935, GR127935, N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide, 2LLH6CEB40, CHEBI:64114, DTXSID90164044, N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide, N-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide, N-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-4-(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)benzamide, RefChem:926877, 01,1'-Biphenyl-4-carboxamide, N-04-methoxy-3-((4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-, DTXCID2086535, N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide, N-(4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide, 2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide, CHEMBL15928, (1,1'-Biphenyl)-4-carboxamide, N-(4-methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-, MLS002153332, SMR001230745, UNII-2LLH6CEB40, N-[4-METHOXY-3-(4-METHYLPIPERAZIN-1-YL)-PHENYL]-4-[2-METHYL-4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL]BENZAMIDE, Tocris-1477, Lopac-G-5793, GTPL14, Lopac0_000790, orb1738921, SCHEMBL7795263, SCHEMBL29462286, BDBM79215, cid_11497466, YDBCEBYHYKAFRX-UHFFFAOYSA-N, EX-A1904, YFA67213, PDSP1_000436, PDSP2_000434, AKOS016004225, CCG-204874, SDCCGSBI-0050767.P002, NCGC00015476-01, NCGC00015476-02, NCGC00015476-03, NCGC00015476-04, NCGC00015476-05, NCGC00025178-01, NCGC00025178-02, AC-27423, DB-010921, HY-123869, CS-0086624, L000275, Q5514387, BRD-K11911061-003-02-8, BRD-K11911061-003-11-9, 2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide, N-[4-Methoxy-3-(4-methyl-1-piperazinyl) phenyl]-2'-methyl-4' -(5-methyl -1,2,4-oxadiazol-3-yl) [1,1'-biphenyl]-4-carboxamide, N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride, N-[4-METHOXY-3-(4-METHYLPIPERAZIN-1-YL)-PHENYL]-4-[2-METHYL-4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL], N-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide, N-[4-methoxy-3-(4-methylpiperazino)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide;hydrochloride
Theoretical properties:
molecular_formula: C29H31N5O3
molecular_weight: 497.6 g/mol
exact_mass: 497.24268987 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 6
heavy_atom_count: 37
topological_polar_surface_area: 83.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: GR 127935 is a member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. It has a role as a serotonergic antagonist. It is a member of benzamides, a 1,2,4-oxadiazole, a N-alkylpiperazine and a N-arylpiperazine. It is a conjugate base of a GR 127935(1+).
chebi: A member of the class of  benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT<small><sub>1B/1D</sub></small> receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT<small><sub>1D</sub></small> and rat 5-HT<small><sub>1B</sub></small> receptors). Displays > 100-fold selectivity over 5HT<small><sub>1A</sub></small>, 5-HT<small><sub>2A</sub></small>, 5-HT<small><sub>2C</sub></small> receptors and other receptor types. Centrally active following oral administration.
chembl: GR-127935 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: GR-127935 is a drug which acts as a selective antagonist at the serotonin receptors 5-HT1B and 5-HT1D. It has little effect when given by itself but blocks the antiaggressive effect of 5-HT1B agonists, and alters release of serotonin in the brain, as well as reducing drug-seeking behaviour in cocaine addicted rats.