CHEMBL433413


SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O)C(N)=O
InChIKey XHTPNLWJKHXMSN-UBLLTGQXSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 12
Rotatable bonds 27
Molecular weight (Da) 871.4

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 6.06 6.06 6.06 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.85 6.85 6.85 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Human Melanocortin A pEC50 5.96 5.96 5.96 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.17 7.17 7.17 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 5.52 5.52 5.52 ChEMBL