UCSF

ZINC00016956

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Tegafur Tegafur

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17902-23-7 , 55774-30-6 , 61036-62-2 , 74578-38-4 , 79107-97-4 , [17902-23-7] , [61036-62-2]

Other Names:

"1-(2-Tetrahydroformyl)-5-fluorouracil, 98%"

(R)-Ftorafur; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-((2R)-tetrahydro-2-furanyl)-; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-; 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione; Ftorafur, (R)-; LS-158686; NSC 148958; R

(S)-1-(TETRAHYDROFURAN-2-YL)-5-FLUOROURACIL

1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt, mixt. with 5-chloro-4-hydroxy-2(1H)-pyridine and 5-fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione; 1,4,5,6-Tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic ac

1-(2-TETRAHYDROFORMYL)-5-FLUOROURACIL

1-(2-Tetrahydrofuryl)-5-fluorouracil mixt. with uracil (1:4); 1-UFT protocol; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, mixt. with 2,4(1H,3H)-pyrimidinedione; FT mixt. with uracil (1:4); LS-158689; Tegafur - uracil mixture; Tegafur m

1-(2-Tetrahydrofuryl)-5-fluorouracil; 1-(Tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione; 1-(Tetrahydro-2-furanyl)-5-fluorouracil; 1-(Tetrahydrofuran-2-yl)-5-fluorouracil; 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-; 2,4(1H,3H)Pyrimi

17902-23-7; Atillon (TN); D01244; Tegafur (JP16/USAN/INN)

17902-23-7; C12673; Tegafur

2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (S)-; LS-158687; S-1-(Tetrahydrofuran-2-yl)-5-fluorouracil; S-Ftorafur; Uracil, 5-fluoro-1-(tetrahydro-2-furyl)-, (S)-

5-fluoro-1-(oxolan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

5-Fluoro-1-(tetrahydro-2-furfuryl)uracil

5-Fluoro-1-(tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione

5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

5-fluoro-1-tetrahydrofuran-2-ylpyrimidine-2,4(1H,3H)-dione

74578-38-4; D02131; Tegafur - uracil mixt; Uftoral (TN)

Citofur

CPD000059106; FTORAFUR

CPD000059106; FTORAFUR; SAM001246561

Ftorafur

Furflucil

Futraful

INN

INN)

JAN

MFCD00012351

MFCD01677041

MJF-12264

Neberk

Sinoflurol

Targocid

Tegafur (BAN

Teichomycin

Teicoplanin

Teicoplanin, Antibiotic for Culture Media Use Only

USAN

USAN)

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) -0.16 2.22 -14.99 1 5 0 64 200.169 1 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Thymidylate synthetase inhibitor ZereneX Building Blocks
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
biological_use Antineoplastic agent IBScreen Bioactives IBScreen Bioactives
biological_use Cytostatic IBScreen Bioactives
mechanism DNA synthesis inhibitor IBScreen Bioactives
mechanism Fluorouracil prodrug IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01185t NIH Clinical Collection via PubChem
mechanism RNA synthesis inhibitor IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01185t NIH Clinical Collection via PubChem
mechanism Thymidylate synthetase inhibitor IBScreen Bioactives IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 1000 0.60 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81057 Z81057 HUVEC (Umbilical Vein Endothelial Cells) 1000 0.60 Functional ≤ 10μM

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