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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1734
CHEMBL1734
Compound Name SOLIFENACIN
ChEMBL Synonyms YM-67905 | SOLIFENACIN | SOLIFENACIN SUCCINATE | YM905 | VESICARE
Max Phase 4 (Approved)
Trade Names SOLIFENACIN SUCCINATE | VESICARE
Molecular Formula C23H26N2O2

Additional synonyms for CHEMBL1734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(O[C@H]1CN2CCC1CC2)N3CCc4ccccc4[C@@H]3c5ccccc5
Standard InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24) ...
Download InChI
Standard InChI Key FBOUYBDGKBSUES-VXKWHMMOSA-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


CHEMBL1734

Molecule Features

CHEMBL1734 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 ISBN PubMed PubMed
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Urinary Bladder, OveractiveD053201EFO:1000781overactive bladder3ClinicalTrials
ClinicalTrials
Prostatic HyperplasiaD011470EFO:0000284benign prostatic hyperplasia3ClinicalTrials
ClinicalTrials
Urinary Incontinence, UrgeD053202EFO:0006865urgency urinary incontinence1ClinicalTrials
Urinary IncontinenceD014549HP:0000020Urinary incontinence2ClinicalTrials

Clinical Data

ClinicalTrials.gov SOLIFENACIN
The Cochrane Collaboration SOLIFENACIN

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 CHEMBL1734. 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
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL5011 Transient receptor potential cation channel subfamily M member 8 Rattus norvegicus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.992
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.355



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL5011 Transient receptor potential cation channel subfamily M member 8 Rattus norvegicus 1.000
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.990
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.470
CHEMBL2125 Vesicular acetylcholine transporter Rattus norvegicus 0.202

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
362.5 362.1994 3.86 2 32.78 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.03 4.16 2.53 2 27 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL1734. 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
G04BD08 - solifenacin

ChemSpider ChemSpider:FBOUYBDGKBSUES-VXKWHMMOSA-N
DailyMed solifenacin succinate
PubChem SID: 50113280
Wikipedia Solifenacin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1734



ACToR 242478-37-1
BindingDB 50344284 50370682
ChEBI 135530
ChemicalBook CB81179756
DrugBank DB01591
DrugCentral 2457
EPA CompTox Dashboard DTXSID3048289
FDA SRS A8910SQJ1U
Guide to Pharmacology 7483
IBM Patent System 9C9BC5781CB416937BBC526461D9D1F7 CD7AD40158F73A3F50FB9E6150973BDB
LINCS LSM-45423
MolPort MolPort-019-879-477
Nikkaji J1.594.869H
PubChem 154059
PubChem: Thomson Pharma 16440595 16501406
SureChEMBL SCHEMBL188493
ZINC ZINC000003936683

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