CHEMBL1682209


SMILES COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O
InChIKey QXSMBSQHYONEJF-UMSFTDKQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 643.4

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
MC1 MSHR Human Melanocortin A pKi 6.94 6.94 6.94 ChEMBL
MC5 MC5R Human Melanocortin A pKi 6.41 6.41 6.41 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.93 5.93 5.93 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.8 7.8 7.8 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.33 6.33 6.33 ChEMBL