CHEMBL3644320


SMILES CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey PWVBXAIRJXQMCU-VEEPYNQNSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 17
Rotatable bonds 19
Molecular weight (Da) 1057.6

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
MC4 MC4R Human Melanocortin A pKi 7.35 7.35 7.35 ChEMBL
MCH1 MCHR1 Human Melanin-concentrating hormone A pKi 5.47 5.47 5.47 ChEMBL
MC1 MSHR Human Melanocortin A pKi 5.47 5.47 5.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 8.7 8.7 8.7 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 7.22 7.22 7.22 ChEMBL