CHEMBL212332


SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
InChIKey KLUZHUBQPREOSA-DSITVLBTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 13
Molecular weight (Da) 549.3

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 5.39 5.39 5.39 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.94 5.94 5.94 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.65 6.65 6.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 4.66 4.66 4.66 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 4.7 4.7 4.7 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.85 6.85 6.85 ChEMBL