PHENPROCOUMON

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Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AA04
UNII: Q08SIO485D

Structure
InChI Key QNDUUBVQYBBRBW-UHFFFAOYSA-N
Smile CCC(c1ccccc1)c1c(O)oc2ccccc2c1=O
InChI
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,20H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16O3
Molecular Weight 280.32
AlogP 4.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 50.44
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor
Primary Target
vitamin K epoxide reductase complex subunit 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 528000 - - -
Enzyme Oxidoreductase
- - - 200 -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 1000 - 0.8-1000 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -11.3-16.18

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Thrombosis 3 D020246 ClinicalTrials
Venous Thrombosis 3 D020246 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 435-97-2
ChEBI 50438
ChEMBL CHEMBL1465
DrugBank DB00946
DrugCentral 2138
EPA CompTox DTXSID5023459
FDA SRS Q08SIO485D
Human Metabolome Database HMDB15081
Guide to Pharmacology 6839
KEGG D05457
PubChem 54680692
SureChEMBL SCHEMBL43031
ZINC ZINC03876174
CONTENTS