CHEMBL1682208


SMILES COCC(=O)N[C@H]1Cc2cc3c(c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O)OCOC3
InChIKey FJGOVJXGOUSTAU-DHUJRADRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 671.4

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 6.48 6.48 6.48 ChEMBL
MC5 MC5R Human Melanocortin A pKi 5.82 5.82 5.82 ChEMBL
MC3 MC3R Human Melanocortin A pKi 5.34 5.34 5.34 ChEMBL
MC4 MC4R Human Melanocortin A pKi 6.39 6.39 6.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pEC50 7.92 7.92 7.92 ChEMBL
MC4 MC4R Human Melanocortin A pEC50 6.16 6.16 6.16 ChEMBL