CHEMBL3600916


SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O
InChIKey WCVJJQCPIDBNFM-HEKKFFGGSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 11
Rotatable bonds 17
Molecular weight (Da) 1115.6

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKd 7.5 7.5 7.5 ChEMBL
MC5 MC5R Human Melanocortin A pKd 7.4 7.4 7.4 ChEMBL
MC3 MC3R Human Melanocortin A pKd 8.0 8.0 8.0 ChEMBL
MC4 MC4R Human Melanocortin A pKd 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pIC50 6.62 6.62 6.62 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.57 6.57 6.57 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 8.96 8.96 8.96 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 6.97 6.97 6.97 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.96 7.96 7.96 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.0 7.0 7.0 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.04 5.04 5.04 ChEMBL