General Information of the Compound
Compound ID
CP0062501
Compound Name
2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one
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Synonyms
(-)-Warfarin
(S)-Warfarin
200 coumarin
Arab Rat Death
Arab rat deth
Athrombine-K
Brumolin
CBKinase1_000192
CBKinase1_012592
CO-Rax
Choice
Choice (TN)
Coumadin
Coumadin (TN)
Coumafen
Coumafene
Coumafene [French]
Coumaphen
Coumaphene
Coumarins
Coumefene
Cov-R-Tox
D-Con
Dethmor
Dethnel
Dicusat E
Eastern states duocide
Fasco fascrat powder
Frass-Ratron
Jantoven (TN)
Kumader
Kumadu
Kumatox
Kypfarin
Latka 42
Latka 42 [Czech]
Liqua-tox
Maag Rattentod Cum
Mar-Frin
Marevan (TN)
Martin's mar-frin
Maveran
Mouse pak
PS104_SUPELCO
Panwarfin
Place-pax
Prothromadin
RAX
Rac-Warfarin
Rat & mice bait
Rat-B-gon
Rat-Gard
Rat-Kill
Rat-Mix
Rat-Ola
Rat-Trol
Rat-a-way
Rat-o-cide #2
Ratorex
Ratoxin
Ratron
Ratron G
Rats-no-more
Ratten-Koederrohr
Rattenstreupulver Neu Schacht
Rattenstreupulver new schacht
Rattentraenke
Rattunal
Ro-Deth
Rodafarin
Rodafarin C
Rodex blox
Rosex
Rough & ready mouse mix
Sofarin
Solfarin
Sorexa plus
Spray-trol brand roden-trol
Temus W
Tox-hid
Twin light rat away
Vampirinip II
Vampirinip iii
W.A.R.F. 42
WARF compound 42
Waran (TN)
Warf 10
Warf 42
Warfarat
Warfarin
Warfarin (INN)
Warfarin (and salts of)
Warfarin Q
Warfarin [BSI:ISO]
Warfarin [INN:BAN]
Warfarin plus
Warfarin plus [discontinued]
Warfarin titrated to an INR of 2.5-3.0
Warfarin(R)
Warfarina
Warfarina [INN-Spanish]
Warfarine
Warfarine [INN-French]
Warfarine [ISO-French]
Warfarinum
Warfarinum [INN-Latin]
Warficide
Zoocoumarin
Zoocoumarin [Netherlands and USSR]
Zoocoumarin [Russian]
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Structure
Formula
C19H16O4
Molecular Weight
308.333
Canonical SMILES
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
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InChI
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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InChIKey
PJVWKTKQMONHTI-UHFFFAOYSA-N
CAS
81-81-2
Physicochemical Property
logP
3.6096
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
67.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 54678486
SID: 14825580
ChEMBL ID
CHEMBL1464
DrugBank ID
DB00682
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04413, Vitamin K epoxide reductase complex subunit 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Warfarin )
Drug Name Warfarin
Company Pharmaceutical Research Assoc Inc
Indication
Atrial fibrillation
Approved
Thrombosis
Application submitted
Target(s)
Vitamin K epoxide reductase complex 1 (VKORC1)
Inhibitor