ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451432
CHEMBL451432
Compound Name THIACLOPRID
ChEMBL Synonyms thiacloprid
Max Phase 0
Trade Names
Molecular Formula C10H9ClN4S

Additional synonyms for CHEMBL451432 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CN2CCS/C/2=N\C#N)cn1
Standard InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14- ...
Download InChI
Standard InChI Key HOKKPVIRMVDYPB-UVTDQMKNSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL451432

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
252.7 252.0236 2.1 2 77.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .01 2.2 2.2 1 16 0.6

Structural Alerts

There are 9 structural alerts for CHEMBL451432. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A4 - NICOTINIC ACETYLCHOLINE RECEPTOR (NACHR) AGONISTS
A44A - NEONICOTINOIDS
A44A6 - THIACLOPRID
ChemSpider ChemSpider:HOKKPVIRMVDYPB-UVTDQMKNSA-N
PubChem SID: 144211014 SID: 26757860 SID: 29216460
Wikipedia Thiacloprid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451432



ACToR 111988-49-9
BindingDB 50251868
ChEBI 39176
DrugBank DB08620
EPA CompTox Dashboard DTXSID7034961
FDA SRS DSV3A944A4
KEGG Ligand C18512
Nikkaji J1.459.101J
PDBe TH4
PubChem: Thomson Pharma 14823507
SureChEMBL SCHEMBL26490
ZINC ZINC13828082

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HOKKPVIRMVDYPB-UVTDQMKNSA-N spacer
spacer