GPCRdb

CHEMBL2391300

Agent/drug
Bioactivity

CHEMBL2391300

SMILES	CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C
InChIKey	CZRITFDAPBAXMY-SMAWTLEESA-N

Chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	2
Rotatable bonds	10
Molecular weight (Da)	568.3

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	Human	Vasopressin and oxytocin	A	pKi	8.28	8.28	8.28	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	6.21	6.21	6.21	ChEMBL
V_1B	V1BR	Human	Vasopressin and oxytocin	A	pKi	5.89	5.89	5.89	ChEMBL
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	6.74	6.74	6.74	ChEMBL

Showing 1 to 4 of 4 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

OT	OXYR	Rat	Vasopressin and oxytocin	A	pIC50	8.04	8.04	8.04	ChEMBL
V_1A	V1AR	Rat	Vasopressin and oxytocin	A	pIC50	6.50	6.50	6.50	ChEMBL
V₂	V2R	Rat	Vasopressin and oxytocin	A	pIC50	6.46	6.46	6.46	ChEMBL

Showing 1 to 3 of 3 entries

CHEMBL2391300

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.