CHEMBL2369840


SMILES NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIKey DBDCVIJOJQHAFP-IFLLZMBLSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 18
Molecular weight (Da) 1126.4

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 6.65 6.65 6.65 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.11 8.11 8.11 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 7.1 7.1 7.1 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database