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ChEMBL Statistics
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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

Structural Alerts

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

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

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
BindinDB 50251868
ChEBI 39176
DrugBank DB08620
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
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