CHEMBL1817763


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey IOHDHCMWELOJGO-OVCMMVBBSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1025.4

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pEC50 6.06 6.06 6.07 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 6.58 6.58 6.58 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 7.85 7.86 7.86 ChEMBL