CHEMBL415333


SMILES CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIKey JKJKHYOUTNOITO-KEJHGIAHSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 17
Rotatable bonds 33
Molecular weight (Da) 1589.7

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
MC5 MC5R Human Melanocortin A pKi 6.19 6.19 6.19 ChEMBL
MC3 MC3R Human Melanocortin A pKi 7.27 7.27 7.27 ChEMBL
MC4 MC4R Human Melanocortin A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pIC50 7.8 7.8 7.8 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 7.38 7.38 7.38 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.6 7.6 7.6 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 8.82 8.82 8.82 ChEMBL