CHEMBL5398659


SMILES C[C@H]1NC(=O)c2cc(C#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 XQQIIPUPHPWBDF-CPBYAEMQSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 12
Rotatable bonds 11
Molecular weight (Da) 944.4

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 8.42 8.42 8.42 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.58 6.58 6.58 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 8.57 8.57 8.57 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 7.4 7.4 7.4 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 9.3 9.3 9.3 ChEMBL