CHEMBL213747


SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@H]1CCCN=C(N)N
InChIKey NSMUITYTUDRYSP-JDIHBLRXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 652.3

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
MC1 MSHR Human Melanocortin A pKi 5.53 5.53 5.53 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.71 5.71 5.71 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 5.91 5.91 5.91 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.95 5.95 5.95 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.05 8.05 8.05 ChEMBL