CHEMBL377465


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-ZWDYZTTJSA-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 8.89 8.89 8.89 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.93 6.93 6.93 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 10.35 10.35 10.35 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.89 8.89 8.89 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.64 8.64 8.64 ChEMBL