CHEMBL3600837


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)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
InChIKey DLVAKQPHOINITK-KBPLZZKXSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 12
Rotatable bonds 17
Molecular weight (Da) 1101.6

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
MC3 MC3R Human Melanocortin A pKd 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.68 8.68 8.68 ChEMBL
MC1 MSHR Human Melanocortin A pIC50 8.41 8.41 8.41 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 6.35 6.35 6.35 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 8.22 8.22 8.22 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 8.8 8.8 8.8 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 6.0 6.0 6.0 ChEMBL