CHEMBL4072129


SMILES CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
InChIKey VLHRNMSUNLFBOW-VZNYXHRGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 841.3

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
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 6.3 6.3 6.3 ChEMBL
MC1 MSHR Mouse Melanocortin A pEC50 6.55 6.55 6.55 ChEMBL
MC3 MC3R Mouse Melanocortin A pEC50 7.24 7.24 7.24 ChEMBL
MC3 MC3R Mouse Melanocortin A pIC50 6.36 6.36 6.36 ChEMBL
MC4 MC4R Mouse Melanocortin A pIC50 6.66 6.66 6.66 ChEMBL