CHEMBL3798421


SMILES CC(=O)N[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)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[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(N)=O
InChIKey CDSFGYYJZFLWLX-HJJFOVLISA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 21
Rotatable bonds 54
Molecular weight (Da) 1629.8

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
MC5 MC5R Mouse Melanocortin A pEC50 8.51 8.51 8.51 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 7.16 7.16 7.16 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 8.19 8.19 8.19 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.46 5.46 5.46 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 8.0 8.0 8.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 8.0 8.0 8.0 ChEMBL
MC4 MC4R Mouse Melanocortin A pEC50 8.44 8.44 8.44 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.89 8.06 9.24 ChEMBL