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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371
CHEMBL1371
Compound Name CHLORZOXAZONE
ChEMBL Synonyms Parafon-Forte | PARAFON FORTE DSC | Parafon Forte | PARAFON | PARAFLEX | STRIFON FORTE DSC | CHLORZOXAZONE | STRIFON
Max Phase 4 (Approved)
Trade Names PARAFLEX | STRIFON FORTE DSC | CHLORZOXAZONE | PARAFON FORTE DSC | Parafon-Forte | PARAFON | STRIFON | Parafon Forte
Molecular Formula C7H4ClNO2

Additional synonyms for CHEMBL1371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2OC(=O)Nc2c1
Standard InChI InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,1 ...
Download InChI
Standard InChI Key TZFWDZFKRBELIQ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1371

Molecule Features

CHEMBL1371 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Intermediate conductance calcium-activated potassium channel protein 4 opener Intermediate conductance calcium-activated potassium channel protein 4 PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CHLORZOXAZONE
The Cochrane Collaboration CHLORZOXAZONE

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 CHEMBL1371. 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
CHEMBL2756 Monoamine oxidase B Bos taurus 0.703
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.468
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 0.459
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.359
CHEMBL4878 Cytochrome P450 1B1 Homo sapiens 0.220

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3151 Intestinal alkaline phosphatase Mus musculus 0.935
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 0.654
CHEMBL2756 Monoamine oxidase B Bos taurus 0.554
CHEMBL2231 Cytochrome P450 1A1 Homo sapiens 0.419
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.333
CHEMBL2208 MAP kinase-activated protein kinase 2 Homo sapiens 0.264
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.262

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
169.6 168.9931 1.77 0 46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.46 - 1.82 1.78 2 11 0.65

Structural Alerts

There are no structural alerts for CHEMBL1371

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M03 - MUSCLE RELAXANTS
M03B - MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
M03BB - Oxazol, thiazine, and triazine derivatives
M03BB53 - chlorzoxazone, combinations excl. psycholeptics

M - MUSCULO-SKELETAL SYSTEM
M03 - MUSCLE RELAXANTS
M03B - MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
M03BB - Oxazol, thiazine, and triazine derivatives
M03BB73 - chlorzoxazone, combinations with psycholeptics

M - MUSCULO-SKELETAL SYSTEM
M03 - MUSCLE RELAXANTS
M03B - MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
M03BB - Oxazol, thiazine, and triazine derivatives
M03BB03 - chlorzoxazone

ChemSpider ChemSpider:TZFWDZFKRBELIQ-UHFFFAOYSA-N
DailyMed chlorzoxazone
PubChem SID: 11110945 SID: 11110946 SID: 144203656 SID: 170464957 SID: 50106005 SID: 8139927 SID: 85230968 SID: 90340987
Wikipedia Chlorzoxazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371



ACToR 32850-84-3
BindingDB 50290811
Brenda 21821
ChEBI 3655
ChemicalBook CB0392987
DrugBank DB00356
DrugCentral 626
eMolecules 901630 536115
EPA CompTox Dashboard DTXSID9022813
FDA SRS H0DE420U8G
Guide to Pharmacology 2322
Human Metabolome Database HMDB0014500
IBM Patent System F6F4975C9837908D3BAC59F6ED9F9B81 6D364218784B03693C0B288F95B0753B
KEGG Ligand C07931
LINCS LSM-6011
Mcule MCULE-3638156868
MolPort MolPort-006-110-468 MolPort-001-759-947
NIH Clinical Collection SAM002554888
Nikkaji J3.950K
NMRShiftDB 20146194
PDBe CLW
PharmGKB PA448971
PubChem 2733
PubChem: Thomson Pharma 16935856
Selleck chlorzoxazone
SureChEMBL SCHEMBL35177
ZINC ZINC000084843283

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