CHEMBL4861645


SMILES CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChIKey JFVISPBLQYTSHU-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
MC5 MC5R Mouse Melanocortin A pKd 5.8 6.2 6.6 ChEMBL
MC5 MC5R Mouse Melanocortin A pKi 5.8 6.2 6.6 ChEMBL
MC1 MSHR Mouse Melanocortin A pKd 6.7 7.17 7.7 ChEMBL
MC1 MSHR Mouse Melanocortin A pKi 6.7 7.17 7.7 ChEMBL
MC4 MC4R Mouse Melanocortin A pKd 5.5 7.37 8.9 ChEMBL
MC4 MC4R Mouse Melanocortin A pKi 5.5 7.36 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Mouse Melanocortin A pEC50 6.4 6.4 6.4 ChEMBL