General
Preferred name
PHENINDIONE
Synonyms
2-Phenyl-1,3-indandione ()
Phenindione D5 ()
Rectadione D5 ()
Rectadione ()
phenylindandione ()
Phenylindione ()
Rectadione, phenylindandione ()
Danilone ()
Dindevan ()
Hedulin ()
Phenylindanedione ()
NSC-41693 ()
P&D ID
PD001807
CAS
83-12-5
Tags
natural product
drug
available
Approved by
FDA
Drug Status
investigational
approved
withdrawn
Drug indication
Pulmonary embolism
Coagulation defect
Max Phase
Phase 4
First approval
1982
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor (GtoPdb)
Compound Sets
23
Cayman Chemical Bioactives
30060
ChEMBL Approved Drugs
CHEMBL711
ChEMBL Drugs
CHEMBL711
Drug Repurposing Hub
DrugBank
DB00498
DrugBank Approved Drugs
DB00498
DrugCentral
2130
DrugCentral Approved Drugs
2130
DrugMAP
DM2PYNR
DrugMAP Approved Drugs
DM2PYNR
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
6838
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL711
MedChem Express Bioactive Compound Library
HY-B0325
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Phenindione(Rectadione)
TargetMol Bioactive Compound Library
T0514
The Spectrum Collection
Withdrawn 2.0
131
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
222.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
2.85
TPSA
34.14
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
1
keto_keto_beta_A(68)
c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6;X4]-[#6]-2=[#8]
PAINS Family B
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
VKOR complex subunit 1
VKORC1
Vitamin
Indication
deep vein thrombosis (DVT)
MOA
vitamin K antagonist
ATC
B01AA02
Therapeutic Class
Anticoagulants
Source data