NORCANTHARIDIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 8452E71EO7
EPA CompTox DTXSID901017225

Structure

InChI Key JAABVEXCGCXWRR-KAZBKCHUSA-N
Smiles O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CC[C@H]2O1
InChI
InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8O4
Molecular Weight 168.15
AlogP -0.14
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase Protein Phosphatase Protein phosphatase regulatory subunit
- 370 - - 97
Enzyme Phosphatase Protein Phosphatase Serine/threonine protein phosphatase
- 570 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.17-106.4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - - 35-98
Cricetulus griseus
- - - - 93.17-106.4
Homo sapiens
- 400 - - -
Mus musculus
- - - - 88.3
Oryctolagus cuniculus
- 570 - - 94-100

Cross References

Resources Reference
CAS NUMBER 29745-04-8
ChEMBL CHEMBL1237212
FDA SRS 8452E71EO7
ZINC ZINC000100057105
CONTENTS