CHEMBL2370694


SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey KEICKFACMXRXAO-QTDVOZQNSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 17
Rotatable bonds 21
Molecular weight (Da) 1322.6

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
MC1 MSHR Mouse Melanocortin A pKi 5.92 5.92 5.92 ChEMBL
MC1 MSHR Mouse Melanocortin A pKd 5.92 5.92 5.92 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 5.23 5.23 5.23 ChEMBL