CHEMBL377778


SMILES N=C(N)NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCNCC1
InChIKey NISOYWYHGOQPMJ-IDZRBWSNSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 613.3

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 6.92 6.92 6.92 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.5 5.5 5.5 ChEMBL
MC4 MC4R Human Melanocortin A pKi 5.99 5.99 5.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 6.98 6.98 6.98 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 5.61 5.61 5.61 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.3 6.3 6.3 ChEMBL