UCSF

ZINC03875544

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 23 No

Other Names:

(+)-Warfarin

(-)-Warfarin

(R)-(+)-4-Hydroxy-3-(3-oxo-1-phenybutyl)-2H-1-benzopyran-2-one

(R)-Warfarin

(R)-Warfarin-d5

(S)-Warfarin

()-Warfarin

129-06-6; CPD000058849; SAM002554882; WARFARIN SODIUM

200 coumarin

2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-

3-(-Acetonylbenzyl)-4-hydroxycoumarin sodium salt

4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one

45706_FLUKA

45706_RIEDEL

551

5543-56-6

5543-57-7

81-81-2

A2250_FLUKA

A2250_SIGMA

AC-15978

AC1L1N37

AC1Q6AN3

Aldocumar

AR-1E2310

Arab Rat Death

Arab rat deth

Athrombine-K

Bio-0586

BRD-A24514565-001-02-2

BRD-A24514565-236-01-6

BRN 1293536

Brumolin

BSPBio_002026

C01541

C19H16O4

Caswell No. 903

CBDivE_002127

CBDivE_013236

CBKinase1_000192

CBKinase1_012592

CHEBI:10033

CHEMBL1464

Choice

Choice (TN)

CID6691

CO-Rax

Compound 42

Coumadin

Coumafen

Coumafene

Coumafene [French]

Coumaphen

Coumaphene

Coumarins

Coumefene

Cov-R-Tox

CPD000058849; SAM002554882; WARFARIN SODIUM

D-Con

D08682

DAP000770

DB00682

Dethmor

Dethnel

Dicusat E

DivK1c_000444

Eastern states duocide

EINECS 201-377-6

EINECS 226-907-3

EPA Pesticide Chemical Code 086002

Fasco fascrat powder

Frass-Ratron

HMS1921K07

HMS2092C20

HMS501G06

HSDB 1786

I14-0958

IDI1_000444

Jantoven

KBio1_000444

KBio2_000674

KBio2_003242

KBio2_005810

KBio3_001526

KBioGR_000901

KBioSS_000674

Kumader

Kumadu

Kumatox

Kypfarin

Latka 42

Latka 42 [Czech]

Liqua-tox

LS-55083

Maag Rattentod Cum

Mar-Frin

Marevan

Martin's mar-frin

Maveran

MFCD00083223

MFCD00349882

MFCD08063545

MLS001304042

MolPort-001-787-822

Mouse pak

NA

NCGC00094810-01

NCGC00094810-02

NCGC00159398-03

NCGC00178855-01

nchembio.307-comp19

NINDS_000444

NSC 59813

NSC59813

Panwarfin

Place-pax

Prothromadin

PS104_SUPELCO

rac-Warfarin

Rat & mice bait

Rat-a-way

Rat-B-gon

Rat-Gard

Rat-Kill

Rat-Mix

Rat-o-cide #2

Rat-Ola

Rat-Trol

Ratorex

Ratoxin

Ratron

Ratron G

Rats-no-more

Ratten-Koederrohr

Rattenstreupulver Neu Schacht

Rattenstreupulver new schacht

Rattentraenke

Rattunal

RAX

RCRA waste no. P001

Rcra waste number P001

Ro-Deth

Rodafarin

Rodafarin C

Rodex blox

Rosex

Rough & ready mouse mix

SMP1_000316

SMR000718754

sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate propan-2-ol

sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate

Sofarin

Solfarin

Sorexa plus

SPBio_000870

SPECTRUM1500613

Spectrum2_000935

Spectrum3_000583

Spectrum4_000381

Spectrum5_001751

Spectrum_000194

Spray-trol brand roden-trol

STK364490

Temus W

Tox-hid

Twin light rat away

UNII-5Q7ZVV76EI

Vampirinip

Vampirinip II

Vampirinip iii

W.A.R.F. 42

Waran

Warf 10

Warf 42

WARF compound 42

Warfarat

Warfarin (and salts of)

Warfarin (INN)

Warfarin plus

Warfarin plus [discontinued]

Warfarin Q

Warfarin sodium

Warfarin sodium (contains Isopropyl Alcohol)

Warfarin Sodium salt

Warfarin sodium(8% Isopropanol)

Warfarin titrated to an INR of 2.5-3.0

Warfarin [BSI:ISO]

Warfarin [INN:BAN]

Warfarin(R)

Warfarina

Warfarina [INN-Spanish]

Warfarine

Warfarine [INN-French]

Warfarine [ISO-French]

WARFARINSODIUM

Warfarinum

Warfarinum [INN-Latin]

Warficide

WLN: T66 BOVJ DYR&1V1 EQ

Zoocoumarin

Zoocoumarin [Netherlands and USSR]

Zoocoumarin [Russian]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 9.53 -53.12 0 4 -1 70 307.325 4
Mid Mid (pH 6-8) 3.03 8.5 -11.58 1 4 0 68 308.333 4
Lo Low (pH 4.5-6) 3.03 9.3 -22.82 1 4 0 68 308.333 4

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.213 Bitter DB
MP 228 - 230 Enamine Building Blocks
MP 228...230 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
biological_use Anticoagulant IBScreen Bioactives
Therapy anticoagulant, rodenticide SMDC Iconix
biological_use Anticoagulant IBScreen Bioactives
mechanism Clotting factor sythesis inhibitor IBScreen Bioactives
mechanism Depletes clotting factor-IX IBScreen Bioactives
mechanism Depletes clotting factor-VII IBScreen Bioactives
mechanism Depletes clotting factor-X IBScreen Bioactives
mechanism Interferes withsynthesis of menadione-dependent clotting factors IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-4087; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 Sodium NIH Clinical Collection via PubChem
biological_use Orally active anticoagulant which depresses synthesis of vitamin K-dependent coagulation factors. IBScreen Bioactives
mechanism Prothrombin depletor IBScreen Bioactives IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-4087; SALT: 1 Sodium; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
biological_use Used in treatment and prophylaxis of thromboembolic disorders IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALBU-1-E Serum Albumin (cluster #1 Of 1), Eukaryotic Eukaryotes 5400 0.32 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALBU_HUMAN P02768 Serum Albumin, Human 2000 0.35 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
HDL-mediated lipid transport
Platelet degranulation
Recycling of bile acids and salts
Scavenging of heme from plasma
Transport of organic anions

Analogs ( Draw Identity 99% 90% 80% 70% )