CHEMBL5432868


SMILES C[C@H]1NC(=O)c2cc(C(=N)N)ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChIKey GVLRCXVPKHTHFV-IMAQRSJWSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 14
Rotatable bonds 12
Molecular weight (Da) 961.4

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 8.45 8.45 8.45 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.83 6.83 6.83 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.79 9.79 9.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.32 8.32 8.32 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.04 7.04 7.04 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.56 9.56 9.56 ChEMBL