CHEMBL2369845


SMILES CCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey BPXZNGQIOFMRNZ-POFDKVPJSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 18
Molecular weight (Da) 1039.4

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 6.88 6.88 6.88 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 9.11 9.11 9.11 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 7.62 7.62 7.62 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.65 7.65 7.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database