UCSF

ZINC00073711

Substance Information

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

CAS Number: 148-79-8

Other Names:

bendazole

123242-33-1

145316-67-2

148-79-8

148-79-8; C07131; Thiabendazole

148-79-8; CPD000058170; SAM002564239; THIABENDAZOLE

148-79-8; D00372; Mintezol (TN); Thiabendazole (USP); Tiabendazole (JAN/INN)

148-79-8; Prestwick_813; Tiabendazole

1H-Benzimidazole, 2-(4-thiazolyl)-

1H-Benzimidazole, 2-(4-thiazolyl)-; 2-(1,3-Thiazol-4-yl)benzimidazole; 2-(1,3-thiazol-4-yl)-1H-benzimidazole; 2-(4-Thiazolyl)-1H-benzimidazole; 2-(4-Thiazolyl)benzimidazole; 2-Thiazole-4-ylbenzimidazole; 4-(2-Benzimidazolyl)thiazole; AI3-50598; APL-luster

1yvm

1yvm;2-(1,3-Thiazol-4-yl)-1H-benzimidazole;2-(1,3-Thiazol-4-yl)benzimidazole;2-(4'-Thiazolyl)benzimidazole;2-(4-Thiazolyl)-1H-Benzimidazole;2-(4-Thiazolyl)-Benzimidazole;2-(4-Thiazolyl)benzimidazole;2-(Thiazol-4-yl)benzimidazole;2-Thiazol-4-yl-1H-benzoimi

2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole

2-(1,3-Thiazol-4-yl)-1H-benzimidazole

2-(1,3-Thiazol-4-yl)benzimidazole

2-(4'-Thiazolyl)benzimidazole

2-(4-Thiazoly)-benzimidazole

2-(4-Thiazolyl)-

2-(4-Thiazolyl)-1H-benzimidazole

2-(4-Thiazolyl)benziMidazole

2-(4-Thiazolyl)benzimidazole hydrochloride; Benzimidazole, 2-(4-thiazolyl)-, hydrochloride; EINECS 243-132-6; LS-33182; Thiabendazole hydrochloride; Tiabendazole hydrochloride

2-(4-Thiazolyl)benzimidazole, hypophosphite salt; Arbotect; Arbotect 20-S; Arbotect S; Benzimidazole, 2-(4-thiazolyl)-, monophosphinate; C10H7N3S.HO2P; Elmpro; LS-33183; Phosphinic acid, compd. with 2-(4-thiazolyl)-1H-benzimidazole (1:1); Storite Clear Li

2-(Thiazol-4-yl)benzimidazole

2-Thiazol-4-yl-1H-benzoimidazole

2-Thiazole-4-ylbenzimidazole

2-[4-Thiazoly]benzimidazole

4-(1H-1,3-benzodiazol-2-yl)-1,3-thiazole

4-(1H-benzimidazol-2-yl)-1,3-thiazole

4-(1H-Benzo[d]imidazol-2-yl)thiazole

4-(2-Benzimidazolyl)thiazole

45684_FLUKA

45684_RIEDEL

8018-04-0

8027-10-9

8028-27-1

94977-06-7

98002-42-7

A0920/0043056

AB00052107

AC1L1KCB

AC1Q4W1V

AI3-50598

AKOS000120940

Apl-Luster

Arbotect

BAS 00600238

Benzimidazole, 2-(4-thiazolyl)-

BIDD:ER0372

Bio-0781

Biogard

Bioguard

Bovizole

BPBio1_000559

BRD-K77695569-001-05-2

BRN 0611403

BSPBio_000507

BSPBio_003054

C10H7N3S

Captan T

CAS-148-79-8

Caswell No. 849A

CCRIS 4510

CHEBI:45977; CHEBI:9526

CHEBI:45979

CHEMBL625

Chemviron TK 100

CID5430

CPD000058170

CPD000058170; SAM002564239; THIABENDAZOLE

Cropasal

D00372

D013827

DAP000664

DB00730

DB08630

DivK1c_000072

Drawipas

E-Z-Ex

EINECS 205-725-8

EPA Pesticide Chemical Code 060101

Eprofil

Equivet TZ

Equizole

Equizole A

G 491

Helmindrax octelmin

HMS1569J09

HMS1921E05

HMS2092M07

HMS500D14

Hokustar hp

HSDB 2027

Hymush

I06-0809

IDI1_000072

INN

JAN)

KBio1_000072

KBio2_000399

KBio2_002967

KBio2_005535

KBio3_002274

KBioGR_000787

KBioSS_000399

Lombristop

LS-864

Mertec

Mertect

Mertect 160

Mertect 340f

Mertect lsp

Metasol TK 10

Metasol TK 100

Metasol TK-100

MFCD00005587

Mintesol

Mintezol

Mintezol (TN)

Mintezol, Equizole

Mintezol, Equizole, Thiabendazole

Mintezole

Minzolum

MK 360

MK-360

MLS-0002984.P004

MLS000053094

MLS000069718

MolPort-001-002-054

Mycozol

NA

NCGC00016410-01

NCGC00016410-02

NCGC00021671-04

NCGC00021671-05

NCGC00021671-06

NCGC00021671-07

NCGC00021671-08

NCGC00021671-09

NCI60_004280

NCI60_042006

NCIOpen2_005709

Nemacin

Nemapan

NINDS_000072

NSC 525040

NSC 90507

NSC525040

NSC90507

Omnizole

Ormogal

Pitrizet

Polival

Prestwick0_000524

Prestwick1_000524

Prestwick2_000524

Prestwick3_000524

Prestwick_813

PS1057_SUPELCO

RPH

RTU Flowable Fungicide

S1739_Selleck

SAM002564239

Sanaizol 100

SDCCGMLS-0002984.P003

Sistesan

SMR000058170

SPBio_001481

SPBio_002428

SPECTRUM1500570

Spectrum2_001331

Spectrum3_001407

Spectrum4_000354

Spectrum5_001009

Spectrum_000039

STK394289

Storite

Syntol M100

T5535_SIGMA

T8904_SIGMA

TBDZ

TBZ

TBZ 6

TBZ 60W

TBZ-6

Tebuzate

Tecto

Tecto 10P

Tecto 40F

Tecto 60

Tecto B

Tecto rph

Testo

Thiaben

Thiabendazol

Thiabendazole (FDA

Thiabendazole (USP)

Thiabendazole [BSI:ISO]

Thiabendazole [USAN:BAN]

Thiabendazole-d4 (Major)

Thiabendazolum

Thiabendole

Thiabenzazole

Thiabenzole

Thibendole

Thibenzol

Thibenzole

Thibenzole 200

Thibenzole att

Thiprazole

Tiabenda

Tiabendazol

Tiabendazol [INN-Spanish, French]

Tiabendazole

Tiabendazole (JAN/INN)

Tiabendazole

Tiabendazolum

Tiabendazolum [INN-Latin]

Tibimix 20

TL8001064

Tobaz

Top form wormer

Tresaderm

Triasox

Tubazole

UNII-N1Q45E87DT

USAN

USP); Tiabendazole (BAN

WLN: T56 BM DNJ C-ET5N CSJ

ZINC00073711

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) 2.35 4.04 -9.14 1 3 0 42 201.254 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.38e-01 g/l DrugBank-approved
Melting Pt.: 301-303?C Toronto Research Chemicals
MP 89 - 91 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 98% APIChem
Melting Pt.: >300?C (dec.) Toronto Research Chemicals
Therapy anthelmintic SMDC Iconix
UniProt Database Links CATA_DICDI; EIF3E_SCHPO; ERS1_SCHPO; RTX2_SCHPO; SEC22_SCHPO; SEC65_SCHPO; TBS1_YEAST; UGE1_SCHPO; Y1708_MYCTU; Y2345_MYCTU; Y3660_MYCTU; Y3835_MYCTU ChEBI
Solubility: Chloroform, Dichloromethane, Dimethylformamide, Dimethyl Sulfoxide, Ethanol, Ethyl Acetate, Toronto Research Chemicals
Solubility: DMSO, Methanol Toronto Research Chemicals
Patent Database Links EP1700845; US2003105066; US2004254182; US2005065197; US2006222684; US2007207222; US2007219221; US2007224250; US2007231295; US2008249113; US2008255073; WO2007103687; WO2007113830 ChEBI
biological_use It is a medication that is used in the treatment of a number of parasitic worm infections IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-7321; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-7321; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
mechanism The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 472 0.63 Binding ≤ 10μM
Z50607-3-O Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other Other 4160 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 472 0.63 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 472 0.63 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 1100 0.60 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.