CHEMBL414778


SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
InChIKey OHFMRHZLQMSCRN-VKYCMGGFSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 20
Rotatable bonds 47
Molecular weight (Da) 1577.8

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
MC1 MSHR Human Melanocortin A pEC50 8.82 8.82 8.82 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 9.8 9.8 9.8 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 6.31 6.31 6.31 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 8.48 8.48 8.48 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.02 6.02 6.02 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 8.22 8.22 8.22 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.57 5.57 5.57 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 7.7 7.7 7.7 ChEMBL