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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15891
CHEMBL15891
Compound Name LINDANE
ChEMBL Synonyms Gamma Benzene Hydrochloride | Gammallin | Gexane | HEXACHLORANE | LINDANE | SCABENE | BENZENE HEXACHLORIDE, GAMMA | Gammaxene | KWELL | GAMENE | HEXICIDE | gamma-Hexachlorocyclohexane | Quellada
Max Phase 4 (Approved)
Trade Names LINDANE | SCABENE | Gamma Benzene Hydrochloride | GAMENE | KWELL | Quellada | Gexane
Molecular Formula C6H6Cl6

Additional synonyms for CHEMBL15891 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
Standard InChI InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-, ...
Download InChI
Standard InChI Key JLYXXMFPNIAWKQ-GNIYUCBRSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL15891

Molecule Features

CHEMBL15891 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-A receptor negative allosteric modulator GABA-A receptor PubMed
GABA-A receptor negative allosteric modulator GABA-A receptor PubMed

Clinical Data

ClinicalTrials.gov LINDANE
The Cochrane Collaboration LINDANE

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
290.8 287.8601 4.16 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.82 3.82 0 12 0.59

Structural Alerts

There are 7 structural alerts for CHEMBL15891. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P03 - ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03A - ECTOPARASITICIDES, INCL. SCABICIDES
P03AB - Chlorine containing products
P03AB02 - lindane

ChemSpider ChemSpider:JLYXXMFPNIAWKQ-GNIYUCBRSA-N
DailyMed lindane
PubChem SID: 144209267 SID: 144211270 SID: 26757360
Wikipedia Lindane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15891



BindingDB 50410525
Brenda 92532 22309 24215
ChEBI 32888
DrugBank DB00431
DrugCentral 1583
EPA CompTox Dashboard DTXSID2020686
FDA SRS 59NEE7PCAB
Human Metabolome Database HMDB0014575
IBM Patent System F7A499CAEEB514C1E79245A98B889460
KEGG Ligand C07075
Nikkaji J5.144F
PubChem: Thomson Pharma 15072277
SureChEMBL SCHEMBL25895

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