CHEMBL5421386


SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN)C(N)=O
InChIKey YEMGKUJZEBAMPK-ZXYZSCNASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 19
Molecular weight (Da) 799.3

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
MC5 MC5R Mouse Melanocortin A pKd 6.4 6.4 6.4 ChEMBL
MC5 MC5R Mouse Melanocortin A pKi 6.4 6.4 6.4 ChEMBL
MC1 MSHR Mouse Melanocortin A pKd 6.4 6.4 6.4 ChEMBL
MC1 MSHR Mouse Melanocortin A pKi 6.4 6.4 6.4 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 8.8 8.8 8.8 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 5.52 5.52 5.52 ChEMBL