GR-127935

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N5O3
Molecular Weight	497.5881
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C=C(NC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3C)C4=NOC(C)=N4)C=C1)N5CCN(C)CC5

InChI

InChIKey=YDBCEBYHYKAFRX-UHFFFAOYSA-N

InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)

HIDE SMILES / InChI

Molecular Formula	C29H31N5O3
Molecular Weight	497.5881
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
5-hydroxytryptamine receptor 1D 17 Target ID: Q60484 Gene ID: 1.00379624E8 Gene Symbol: HTR1D Target Organism: Cavia porcellus (Guinea pig) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057272	Antagonist 2778	8.5 null [pKi]
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL3459 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057272	Antagonist 2778	8.5 null [pKi]
5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 1 Target ID: 1.00009464E8 Gene Symbol: HTR2A Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057272	Antagonist 2778	6.4 null [pKi]
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL273 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057272	Binding Agent 1064	6.5 null [pKi]
Serotonin 1 receptors; 5-HT1B & 5-HT1D 4 Target ID: CHEMBL2095230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7617149\| https://www.ncbi.nlm.nih.gov/pubmed/9048762\| https://www.ncbi.nlm.nih.gov/pubmed/18952090	Antagonist 2778	141.0 nM [EC50]

PubMed

Title	Date	PubMed
		252159837
GR127935 acts as a partial agonist at recombinant human 5-HT1D alpha and 5-HT1D beta receptors.	1996 Oct 31	8957260
Interactions of GR127935, a 5-HT(1B/D) receptor ligand, with functional 5-HT receptors.	1997 Apr	9109356
Potentiation of fluoxetine-induced penile erections by combined blockade of 5-HT1A and 5-HT1B receptors.	1997 Mar 5	9085055
SB-224289--a novel selective (human) 5-HT1B receptor antagonist with negative intrinsic activity.	1998 Sep	9776361
RU-24969 disrupts d-amphetamine self-administration and responding for conditioned reward via stimulation of 5-HT1B receptors.	1999 Mar	10780831
The anxiolytic-like effect of 5-HT1B receptor ligands in rats: a possible mechanism of action.	2005 Feb	15720791
Potential vascular alpha1-adrenoceptor blocking properties of an array of 5-HT receptor ligands in the rat.	2006 Mar 27	16545797
Effects of serotonin (5-HT)(1B) receptor ligands on cocaine-seeking behavior in rats.	2008 Nov-Dec	19211971
A cell protection screen reveals potent inhibitors of multiple stages of the hepatitis C virus life cycle.	2010 Feb 23	20142494

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:22:15 GMT 2023` Edited by `admin` on `Fri Dec 15 19:22:15 GMT 2023`
Record UNII	2LLH6CEB40
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GR-127935

Common Name

English

(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)-

Systematic Name

English

Code System Code Type Description

CHEBI

64114