GPCRdb

OPC-21268

Agent/drug
Bioactivity

OPC-21268

SMILES	CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIKey	KSNUCNRMDYJBKT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	7
Molecular weight (Da)	449.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids 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	6.80	6.80	6.80	Guide to Pharmacology
OT	OXYR	Rat	Vasopressin and oxytocin	A	pKi	6.64	6.64	6.64	ChEMBL
OT	OXYR	Human	Vasopressin and oxytocin	A	pKi	6.77	6.77	6.77	ChEMBL
OT	OXYR	Rat	Vasopressin and oxytocin	A	pKi	6.48	6.48	6.48	PDSP Ki database
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	5.10	5.10	5.10	Guide to Pharmacology
V_1A	V1AR	Rat	Vasopressin and oxytocin	A	pKi	7.50	7.55	7.63	ChEMBL
V_1A	V1AR	Human	Vasopressin and oxytocin	A	pKi	4.28	4.97	6.46	ChEMBL
V_1A	V1AR	Rat	Vasopressin and oxytocin	A	pKi	7.63	7.73	7.83	PDSP Ki database
V_1B	V1BR	Rat	Vasopressin and oxytocin	A	pKi	5.00	5.00	5.00	PDSP Ki database
V₂	V2R	Human	Vasopressin and oxytocin	A	pKi	4.50	4.50	4.50	Guide to Pharmacology
V₂	V2R	Rat	Vasopressin and oxytocin	A	pKi	5.00	5.00	5.00	PDSP Ki database

Showing 1 to 11 of 11 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

V_1A	V1AR	Rat	Vasopressin and oxytocin	A	pIC50	6.36	6.36	6.36	ChEMBL

Showing 1 to 1 of 1 entry

OPC-21268

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

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.