MK-8666

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 11612L5SPI

Structure

InChI Key CODQKEMYZZKQAE-QPVYNBJUSA-N
Smiles Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@H]2[C@@H](C3)[C@@H]2C(=O)O)c1
InChI
InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31NO6S
Molecular Weight 521.64
AlogP 4.73
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 102.79
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Free fatty acid receptor
5.6 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
5.6 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297471
DrugBank DB14937
FDA SRS 11612L5SPI
PDB MK6
PubChem 73051869
SureChEMBL SCHEMBL15467128
CONTENTS