CHEMBL3798768


SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIKey JCKLYCFJKXMTIR-YQCXOBAMSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 21
Rotatable bonds 54
Molecular weight (Da) 1729.9

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC3 MC3R Mouse Melanocortin A pKd 6.08 6.08 6.08 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 7.68 7.68 7.68 ChEMBL
MC4 MC4R Human Melanocortin A pKd 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 6.11 6.11 6.11 ChEMBL
MC1 MSHR Mouse Melanocortin A pIC50 6.37 6.37 6.37 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 6.25 6.25 6.25 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 6.46 6.46 6.46 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 7.98 7.98 7.98 ChEMBL