CHEMBL4091894


SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O
InChIKey FYVIFNLHCUTEBN-BPXGVECKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 9
Rotatable bonds 18
Molecular weight (Da) 828.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC4 MC4R Mouse Melanocortin A pKd 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC5 MC5R Mouse Melanocortin A pEC50 6.57 6.57 6.57 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 7.16 7.16 7.16 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 6.34 6.34 6.34 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 5.47 5.47 5.47 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 6.56 6.56 6.56 ChEMBL