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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1346
CHEMBL1346
Compound Name DARIFENACIN
ChEMBL Synonyms DARIFENACIN HYDROBROMIDE | ENABLEX | UK-88525-04 (HYDROBROMIDE) | DARIFENACIN | Enablex | UK-88525
Max Phase 4 (Approved)
Trade Names ENABLEX
Molecular Formula C28H30N2O2

Additional synonyms for CHEMBL1346 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5
Standard InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6- ...
Download InChI
Standard InChI Key HXGBXQDTNZMWGS-RUZDIDTESA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1346

Molecule Features

CHEMBL1346 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M2 antagonist Muscarinic acetylcholine receptor M2 DailyMed PubMed
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
NOCTURIAD053158HP:0000017NOCTURIA4
POLYURIAD011141HP:0000103POLYURIA4
URINARY INCONTINENCED014549HP:0000020URINARY INCONTINENCE4

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 CHEMBL1346. 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
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.993
CHEMBL240 HERG Homo sapiens 0.993
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.992
CHEMBL313 Serotonin transporter Rattus norvegicus 0.973
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.973
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.662
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 0.573
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.331
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.290



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL287 Sigma opioid receptor Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.999
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.998
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.997
CHEMBL313 Serotonin transporter Rattus norvegicus 0.997
CHEMBL240 HERG Homo sapiens 0.993
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.875
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 0.838
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.835
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.738
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.556
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.535
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.505
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.396
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.350
CHEMBL228 Serotonin transporter Homo sapiens 0.299
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.268
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.231

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
426.6 426.2307 4.56 7 55.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.57 - -.24 -.24 3 32 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL1346. 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
G04BD10 - darifenacin

ChemSpider ChemSpider:HXGBXQDTNZMWGS-RUZDIDTESA-N
DailyMed darifenacin hydrobromide
PubChem SID: 50113277
Wikipedia Darifenacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1346



ACToR 133099-04-4
BindingDB 50109647
ChEBI 391960
DrugBank DB00496
DrugCentral 784
EPA CompTox Dashboard DTXSID2048290
FDA SRS APG9819VLM
Guide to Pharmacology 319 321
Human Metabolome Database HMDB14639
IBM Patent System D6B7FF68CDBA6025A8FFD6B6786F0FD0
LINCS LSM-5995
Mcule MCULE-4616748439
Nikkaji J615.836F
PubChem 444031
PubChem: Thomson Pharma 14856314
SureChEMBL SCHEMBL56574

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