NORCANTHARIDIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 8452E71EO7

Structure
InChI Key JAABVEXCGCXWRR-KAZBKCHUSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
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
- 370-2900 - - 97
Enzyme Phosphatase Protein Phosphatase Serine/threonine protein phosphatase
- 570-5310 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1237212
FDA SRS 8452E71EO7
ZINC ZINC000100057105
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