UCSF

ZINC03842753

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 20 Yes

Popular Name: Trifluridine Trifluridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 70-00-8 , [70-00-8]

Other Names:

uridine

1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

2'-Deoxy-5-(trifluoromethyl)uridine

2'-Deoxy-5-(trifluoromethyl)uridine; 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)-; 5-(Trifluoromethyl)deoxyuridine; 5-Trifluoro-2'-deoxythymidine; 5-Trifluoromethyl-2'-deoxyuridine; 5-Trifluoromethyl-2-deoxyuridine; 5-

2'-Deoxy-5-trifluoromethyluridine

2'-Deoxy-5-trifluoromethyluridine, Trifluridine

2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-D-ribofuranosyl)-5-(trifluoromethyl)-

5-(Trifluoromethyl)-2'-deoxyuridine

5-(Trifluoromethyl)deoxyuridine

5-(Trifluoromethyl)deoxyuridine; 5-Trifluoromethyl-2-deoxyuridine; Trifluoromethyldeoxyuridine; Trifluorothymidine; trifluorothymine deoxyriboside

5-Trifluoro-2'-deoxythymidine

5-trifluoromethyl-2'-deoxyuridine

5-Trifluoromethyl-2-deoxyuridine

5-Trifluoromethylthymidine

5-Trifluorothymidine

70-00-8

70-00-8; D00391; Trifluridine (USP/INN); Viroptic (TN)

AC1L1M4O

alpha,alpha,alpha-Trifluorothymidine

BRD-A64485570-001-03-7

BRD-K03243820-001-12-1

BRN 0568095

C10H11F3N2O5

CCRIS 2348

CF3dUrd

CHEBI:269321

CHEBI:9713

CHEMBL1129

CID6256

D00391

DAP000760

DB00432

EINECS 200-722-8

F3DThd

F3T

F3TDR

FDA

Fluridine

FT-0082240

HS-0007

INN

LS-153788

MFCD00006534

MLS000028361

MLS001148248

NA

NSC 529182

NSC 75520

NSC529182

NSC75520

OR-7422

S1778_Selleck

SMR000058583

T2255_SIGMA

T2511

TFDU

TFT

Thymidine, alpha,alpha,alpha-trifluoro-

Trifluoridine

Trifluoromethyldeoxyuridine

Trifluorothymidine

TRIFLUOROTHYMIDINE 5-

Trifluorothymidine, 98%

trifluorothymine deoxyriboside

Trifluridina

Trifluridina [INN-Spanish]

trifluridina; trifluridine; trifluridinum

Trifluridine (FDA

Trifluridine (INN

Trifluridine (USP/INN)

Trifluridine (Viroptic)

Trifluridine [USAN:INN]

Trifluridinum

Trifluridinum [INN-Latin]

UNII-RMW9V5RW38

Uridine, 2'-deoxy-5-(trifluoromethyl)-

USAN

USP)

Virophta

Viroptic

Viroptic (TN)

Viroptic, Trifluorothymidine

Viroptic, Trifluorothymidine, Trifluridine

ZINC03842753

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) -0.99 -3.42 -16.36 3 7 0 105 296.201 3 ↓
Mid Mid (pH 6-8) -0.53 -6.08 -53.32 2 7 -1 108 295.193 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 189 TCI
MP 190-193° Oakwood Chemical
ALOGPS_SOLUBILITY 6.69e+00 g/l DrugBank-approved
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Therapy antiviral SMDC Pharmakon
therap antiviral (opthalmic) MicroSource Spectrum
Warnings IRRITANT Matrix Scientific
Target NULL Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A3RLP8-1-V Thymidine Kinase (cluster #1 Of 1), Viral Viruses 2000 0.40 Binding ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 1700 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A3RLP8_CHV1 A3RLP8 Thymidine Kinase, Chv1 2000 0.40 Binding ≤ 10μM
Z50602 Z50602 Human Herpesvirus 1 1700 0.40 Functional ≤ 10μM

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