CHEMBL4072387


SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
InChIKey PZVZJDCUPVOTTP-JGNIMXBXSA-N

Chemical properties

Hydrogen bond acceptors 22
Hydrogen bond donors 23
Rotatable bonds 51
Molecular weight (Da) 1649.8

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pIC50 9.4 9.4 9.4 ChEMBL
MC1 MSHR Human Melanocortin A pEC50 9.15 9.15 9.15 ChEMBL
MC5 MC5R Human Melanocortin A pEC50 8.09 8.09 8.09 ChEMBL
MC5 MC5R Human Melanocortin A pIC50 7.75 7.75 7.75 ChEMBL
MC3 MC3R Human Melanocortin A pIC50 7.52 7.52 7.52 ChEMBL
MC3 MC3R Human Melanocortin A pEC50 8.17 8.17 8.17 ChEMBL
MC4 MC4R Human Melanocortin A pIC50 8.3 8.3 8.3 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 8.68 8.68 8.68 ChEMBL