CHEMBL5413092


SMILES C#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 QDKRFZOIHJPTRE-YNOSRJHOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 11
Rotatable bonds 11
Molecular weight (Da) 872.4

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 7.19 7.19 7.19 ChEMBL
MC3 MC3R Human Melanocortin A pKi 6.13 6.13 6.13 ChEMBL
MC4 MC4R Human Melanocortin A pKi 9.63 9.63 9.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.46 7.46 7.46 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 6.5 6.5 6.5 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 7.05 7.05 7.05 ChEMBL