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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607710
CHEMBL607710
Compound Name CHLORPHENESIN CARBAMATE
ChEMBL Synonyms U-19,646 | MAOLATE | CHLORPHENESIN CARBAMATE | CHLORPHENESIN
Max Phase 4 (Approved)
Trade Names MAOLATE
Molecular Formula C10H12ClNO4

Additional synonyms for CHEMBL607710 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)OCC(O)COc1ccc(Cl)cc1
Standard InChI InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12) ...
Download InChI
Standard InChI Key SKPLBLUECSEIFO-UHFFFAOYSA-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


CHEMBL607710

Molecule Features

CHEMBL607710 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed

Clinical Data

ClinicalTrials.gov CHLORPHENESIN CARBAMATE
The Cochrane Collaboration CHLORPHENESIN CARBAMATE

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 CHEMBL607710. 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
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.990
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.858
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.552
CHEMBL2993 Monoamine oxidase B Rattus norvegicus 0.279

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.909
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.714
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.686
CHEMBL4777 Neuropeptide Y receptor type 1 Homo sapiens 0.226

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
245.7 245.0455 1.17 5 81.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.99 - 1.66 1.66 1 16 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL607710. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AE - Other antifungals for topical use
D01AE07 - chlorphenesin

ChemSpider ChemSpider:SKPLBLUECSEIFO-UHFFFAOYSA-N
PubChem SID: 144204038 SID: 56463366
Wikipedia Chlorphenesin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607710



ACToR 886-74-8
ChEBI 3643
DrugCentral 614
eMolecules 734530
EPA CompTox Dashboard DTXSID5022803
IBM Patent System A93B8F23E5C7E84FA44FB4CC7848BF25
KEGG Ligand C07930
LINCS LSM-1516
Nikkaji J7.158G
PubChem 2724
PubChem: Thomson Pharma 15094159
SureChEMBL SCHEMBL34492

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