General
Preferred name
(S)-Warfarin
Synonyms
(-)-Warfarin ()
P&D ID
PD007912
CAS
5543-57-7
Tags
drug candidate
natural product
available
Drug Status
experimental
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
308.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
3.61
TPSA
67.51
Fraction CSP3
0.16
Chiral centers
1.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Disease Area
hematology, cardiology
Indication
deep vein thrombosis (DVT), pulmonary embolism (PE), atrial fibrillation (AF), myocardial infarction
Target
VKORC1
MOA
vitamin K antagonist
Source data
