CHEMBL312998


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey XVPBPJWOKGRCPR-TUJDOMBOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 11
Rotatable bonds 21
Molecular weight (Da) 791.4

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
MC1 MSHR Human Melanocortin A pKi 7.94 7.94 7.94 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.85 6.85 6.85 ChEMBL
MC4 MC4R Human Melanocortin A pKi 7.81 7.81 7.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.1 8.1 8.1 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.39 7.39 7.39 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.2 8.2 8.2 ChEMBL