UCSF

ZINC01444556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 Yes

Popular Name: Triclabendazole Triclabendazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 68786-66-3 , [68786-66-3]

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) 5.94 8.77 -7.56 1 3 0 38 359.665 3 ↓
Ref Reference (pH 7) 5.94 8.77 -7.17 1 3 0 38 359.665 3 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Binds to beta-tubulin and prevent the polymerisation of the microtubules of which they are part ZereneX Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98.5% APIChem
therap anthelmintic MicroSource World Drugs
biological_use Anthelmintic (with active sulfoxide metabolite) IBScreen Bioactives
mechanism Binds to beta-tubulin and prevent the polymerisation of the microtubules of which they are part IBScreen Bioactives
PUBCHEM_PATENT_ID EP0137627A2; EP0137627B1; EP0263691A2; EP0462721A2; EP0462721A3; EP0546687A2; EP0546687A3; EP0606756B1; EP0639974A1; EP0710105A1; EP0721466A1; EP0724437A1; EP0837870A1; US4867980; US5278181; US5340804; US5449681; US5596122; US5614525; US5637603; US5744494 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Target Microtubule Associated Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02865t NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02865t NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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