CHEMBL3601432


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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O
InChIKey JQBPGTIPRHEONU-VVPYAFNRSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 17
Molecular weight (Da) 1143.6

Drug properties

Molecular type Small molecule
Endogenous/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 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pIC50 7.17 7.17 7.17 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 7.59 7.59 7.59 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 6.59 6.59 6.59 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.85 5.85 5.85 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 5.24 5.24 5.24 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 5.5 5.5 5.5 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.84 5.84 5.84 ChEMBL