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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184437
CHEMBL3184437
Compound Name DICHLOROBENZYL ALCOHOL
ChEMBL Synonyms DICHLOROBENZYL ALCOHOL
Max Phase 4 (Approved)
Trade Names
Molecular Formula C7H6Cl2O

Additional synonyms for CHEMBL3184437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1ccc(Cl)cc1Cl
Standard InChI InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
Standard InChI Key DBHODFSFBXJZNY-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Manually Added Drugs
  • PubChem BioAssays
  • Scientific Literature
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL3184437

Molecule Features

CHEMBL3184437 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov DICHLOROBENZYL ALCOHOL
The Cochrane Collaboration DICHLOROBENZYL ALCOHOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL3184437. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL259 Melanocortin receptor 4 Homo sapiens 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.999
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.999
CHEMBL4805 P2X purinoceptor 7 Homo sapiens 0.997
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.966
CHEMBL1985 Glucagon receptor Homo sapiens 0.792
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.576
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.523
CHEMBL4644 Melanocortin receptor 3 Homo sapiens 0.506
CHEMBL4441 C-X-C chemokine receptor type 3 Homo sapiens 0.486
CHEMBL5658 Prostaglandin E synthase Homo sapiens 0.349
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.334
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.282
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.276
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.212
CHEMBL2063 Ceramide glucosyltransferase Homo sapiens 0.201



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL259 Melanocortin receptor 4 Homo sapiens 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.999
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 0.999
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.996
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.996
CHEMBL4805 P2X purinoceptor 7 Homo sapiens 0.994
CHEMBL4644 Melanocortin receptor 3 Homo sapiens 0.994
CHEMBL3720 ATP-citrate synthase Homo sapiens 0.938
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.929
CHEMBL1985 Glucagon receptor Homo sapiens 0.634
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.597
CHEMBL4441 C-X-C chemokine receptor type 3 Homo sapiens 0.585
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 0.525
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 0.442
CHEMBL244 Coagulation factor X Homo sapiens 0.289

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
177 175.9796 2.55 1 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.6 - 2.28 2.28 1 10 0.7

Structural Alerts

There are no structural alerts for CHEMBL3184437

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R02 - THROAT PREPARATIONS
R02A - THROAT PREPARATIONS
R02AA - Antiseptics
R02AA03 - dichlorobenzyl alcohol

ChemSpider ChemSpider:DBHODFSFBXJZNY-UHFFFAOYSA-N
PubChem SID: 144211212 SID: 170465574

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184437



ACToR 1777-82-8
ChEBI 48220
DrugCentral 3140
eMolecules 482213
EPA CompTox Dashboard DTXSID9041362
FDA SRS 1NKX3648J9
IBM Patent System A1543050ED256805E9E82B8D758B441D
Mcule MCULE-4104237837
MolPort MolPort-001-769-133
Nikkaji J28.521H
NMRShiftDB 20039662
PubChem 15684
PubChem: Thomson Pharma 15219610
SureChEMBL SCHEMBL41323
ZINC ZINC000000157458

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