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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14
CHEMBL14
Compound Name CARBACHOL
ChEMBL Synonyms DORYL | Carbacholine chloride | CARBASTAT | CARBAMOYLCHOLINE CHLORIDE | CARBACHOL | MIOSTAT
Max Phase 4 (Approved)
Trade Names CARBACHOL | CARBASTAT | DORYL | MIOSTAT
Molecular Formula C6H15ClN2O2

Additional synonyms for CHEMBL14 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].C[N+](C)(C)CCOC(=O)N
Standard InChI InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,( ...
Download InChI
Standard InChI Key AIXAANGOTKPUOY-UHFFFAOYSA-N

Sources

  • 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


CHEMBL14

Molecule Features

CHEMBL14 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M3 agonist Muscarinic acetylcholine receptor M3 ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GlaucomaD005901EFO:0000516glaucoma4ATC

Clinical Data

ClinicalTrials.gov CARBACHOL
The Cochrane Collaboration CARBACHOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
147.2 147.1128 -0.21 3 52.32 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.54 - -4.1 -4.1 0 10 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL14. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07A - PARASYMPATHOMIMETICS
N07AB - Choline esters
N07AB01 - carbachol

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01E - ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01EB - Parasympathomimetics
S01EB02 - carbachol

ChemSpider ChemSpider:AIXAANGOTKPUOY-UHFFFAOYSA-N
DailyMed carbachol
PubChem SID: 144205582 SID: 170464972 SID: 26747465 SID: 50105987 SID: 56463323
Wikipedia Carbachol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14



ACToR 51-83-2
Brenda 4506
ChEBI 3385
DrugBank DB00411
eMolecules 489054
EPA CompTox Dashboard DTXSID9022730
FDA SRS 8Y164V895Y
Mcule MCULE-9644162883
MolPort MolPort-003-666-136
PubChem 53627818 521353 5831
PubChem: Thomson Pharma 15120660
SureChEMBL SCHEMBL2791

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