ANISINDIONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S747T1ERAJ

Structure
InChI Key XRCFXMGQEVUZFC-UHFFFAOYSA-N
Smile COc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChI
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12O3
Molecular Weight 252.27
AlogP 2.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Vitamin K-dependent gamma-carboxylase inhibitor ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 9100 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 0-1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 75

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 117-37-3
ChEBI 133809
ChEMBL CHEMBL712
DrugBank DB01125
DrugCentral 222
EPA CompTox DTXSID3022611
FDA SRS S747T1ERAJ
Human Metabolome Database HMDB0015257
Guide to Pharmacology 6960
KEGG D07457
PharmGKB PA164746467
PubChem 2197
SureChEMBL SCHEMBL49379
ZINC ZINC000100015486
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