GPCRdb

CHEMBL341339

Agent/drug
Bioactivity

CHEMBL341339

SMILES	CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2
InChIKey	XKVDTEPESVJNPJ-NGXZDTIWSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	5
Molecular weight (Da)	459.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Rat	Vasopressin and oxytocin	A	pKi	6.43	6.43	6.43	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.28	6.28	6.28	ChEMBL
V_1A	V1AR	Rat	Vasopressin and oxytocin	A	pKi	4.58	4.58	4.58	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.80	5.80	5.80	ChEMBL
V₂	V2R	Rat	Vasopressin and oxytocin	A	pKi	4.54	4.54	4.54	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	5.25	5.25	5.25	ChEMBL

Showing 1 to 6 of 6 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Rat	Vasopressin and oxytocin	A	pIC50	6.10	6.10	6.10	ChEMBL
V₂	V2R	Rat	Vasopressin and oxytocin	A	pIC50	4.16	4.16	4.16	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL341339

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.