MK-571


SMILES OC(=O)CCSC(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C
InChIKey AXUZQJFHDNNPFG-UXBLZVDNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 514.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Guinea pig Leukotriene A pKd 8.8 8.9 9.0 ChEMBL
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Human Leukotriene A pIC50 8.0 8.0 8.0 Guide to Pharmacology
CysLT1 CLTR1 Guinea pig Leukotriene A pIC50 8.41 8.69 9.1 ChEMBL