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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1493
CHEMBL1493
Compound Name FLAVOXATE
ChEMBL Synonyms URISPAS | DW-61 | Flavoxate | FLAVOXATE HYDROCHLORIDE | FLAVOXATE
Max Phase 4 (Approved)
Trade Names URISPAS | FLAVOXATE HYDROCHLORIDE
Molecular Formula C24H25NO4

Additional synonyms for CHEMBL1493 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
Standard InChI InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17) ...
Download InChI
Standard InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL1493

Molecule Features

CHEMBL1493 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
Phosphodiesterase 4 inhibitor Phosphodiesterase 4 PubMed PubMed
Phosphodiesterase 7 inhibitor Phosphodiesterase 7 PubMed PubMed
Phosphodiesterase 8 inhibitor Phosphodiesterase 8 PubMed PubMed

Clinical Data

ClinicalTrials.gov FLAVOXATE
The Cochrane Collaboration FLAVOXATE

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 CHEMBL1493. 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
CHEMBL242 Estrogen receptor beta Homo sapiens 0.986
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.986
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.968
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.943
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 0.841
CHEMBL220 Acetylcholinesterase Homo sapiens 0.738
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.251



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL242 Estrogen receptor beta Homo sapiens 0.994
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.993
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.950
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.939
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.705
CHEMBL220 Acetylcholinesterase Homo sapiens 0.699
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 0.678

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
391.5 391.1784 4.49 6 55.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.2 4.27 3.41 2 29 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL1493. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - UROLOGICALS
G04BD - Drugs for urinary frequency and incontinence
G04BD02 - flavoxate

ChemSpider ChemSpider:SPIUTQOUKAMGCX-UHFFFAOYSA-N
DailyMed flavoxate hydrochloride
PubChem SID: 11112543
Wikipedia Flavoxate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1493



ACToR 15301-69-6
ChEBI 5088
DrugBank DB01148
DrugCentral 1175
eMolecules 736698
EPA CompTox Dashboard DTXSID3023053
FDA SRS 3E74Y80MEY
Guide to Pharmacology 7187
Human Metabolome Database HMDB15279
IBM Patent System 7F59591AC6A82A052D89A6DA8E6B22C5
KEGG Ligand C07809
LINCS LSM-3050
Nikkaji J8.545F
NMRShiftDB 20208561
PharmGKB PA164781386
PubChem 3354
PubChem: Thomson Pharma 14780778
SureChEMBL SCHEMBL25801
ZINC ZINC000000608382

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