WDuo3


SMILES O=C1N(CO/N=C\c2cc[n+](cc2)CCC[n+]2ccc(cc2)/C=N\OCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
InChIKey OLTRDACQFPTOSK-XCUVAWFXSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 604.2

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
MC3 MC3R Human Melanocortin A pKi 8.0 8.2 8.4 Guide to Pharmacology
MC5 MC5R Human Melanocortin A pKd 6.9 6.9 6.9 Guide to Pharmacology
MC4 MC4R Human Melanocortin A pKi 7.4 7.7 8.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pIC50 8.4 8.4 8.4 Guide to Pharmacology