CHEMBL557629


SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O
InChIKey WNKKIZAQIDNXQY-ADWZWCNWSA-N

Chemical properties

Hydrogen bond acceptors 31
Hydrogen bond donors 33
Rotatable bonds 58
Molecular weight (Da) 2419.1

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
MCH1 MCHR1 Mouse Melanin-concentrating hormone A pKi 10.28 10.28 10.28 ChEMBL
MCH2 MCHR2 Human Melanin-concentrating hormone A pKi 8.8 8.8 8.8 ChEMBL
MCH1 MCHR1 Human Melanin-concentrating hormone A pKi 10.47 10.47 10.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database