CHEMBL5438253


SMILES N#Cc1ccc2c(c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](C(N)=O)CS2
InChIKey JOWUFLPXVQKTNW-XJZSZEIDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 11
Rotatable bonds 11
Molecular weight (Da) 873.3

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 6.8 6.8 6.8 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.18 6.18 6.18 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Human Melanocortin A pEC50 7.2 7.2 7.2 ChEMBL