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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL667
CHEMBL667
Compound Name ACETYLCHOLINE
ChEMBL Synonyms Miochol | Miochol-E | Acetylcholine | Acetylcholine Chloride
Max Phase 4 (Approved)
Trade Names Miochol | Miochol-E
Molecular Formula C7H16NO2

Additional synonyms for CHEMBL667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OCC[N+](C)(C)C
Standard InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Standard InChI Key OIPILFWXSMYKGL-UHFFFAOYSA-N

Mechanism of Action

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

Molecule Features

CHEMBL667 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Clinical Data

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

Structural Alerts

There are 4 structural alerts for CHEMBL667. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL667

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
146.2 146.1181 -1.2 4 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.4 -3.4 0 10 0.37

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01E - ANTIGLAUCOMA PREPARATIONS AND MIOTICS
S01EB - Parasympathomimetics
S01EB09 - acetylcholine

ChemSpider ChemSpider:OIPILFWXSMYKGL-UHFFFAOYSA-N
PubChem SID: 124883320 SID: 26756572
Wikipedia Acetylcholine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL667



ACToR 51-84-3
BindinDB 10759
ChEBI 15355
DrugBank DB03128
eMolecules 1985299
FDA SRS N9YNS0M02X
Guide to Pharmacology 294
Human Metabolome Database HMDB00895
IBM Patent System 5B702206FC88799C78883851EA845764
IBM Patents EP1623757B1 US7378425 EP1381603A2 EP0455909A3 EP1516049A2 WO2006012416A2 WO2009048778A2 US5418241 US20020146727 US20090162456 US5081117 US20060229588 US20060178333 EP0815137A1 WO2007087151A2 EP1598365A1 WO2008122356A1 WO2008098977A1 WO2002000728A2 US7083931 US20070122902 EP2255012A2 US6551989 US5066665 EP1478380A2 US7563795 US20090136937 US20080281840 US7101890 US20080293731 US20080193910 EP0953637A2 US20080200450 EP2004186A2 WO2003039464A2 WO2004087158A2 WO2003086393A1 US20070015707 WO2003040121A1 US6720433 EP1424079A1 US20040152169 US5571905 US20100105578 US20050203167 US6776991 US20100151481 EP0719267B1 WO2009143457A2 US20050221356 US7470518 WO2000059464A1 US20080097606 US20040265400 EP0606658B1 US20040180046 US6586427 US20080206161 EP1795527B1 US20040110180 US20090232854 US6878522 US20030203411 US20020099291 US20060293719 EP1515722A2 US20090081168 WO2005037224A2 EP0695182A1 WO2001062269A2 US6251605 EP1770159A1 US7022716 EP2262905A2 US7598199 US20100330570 US20060165705 WO2002006221A2 EP1389208B1 US20060034847 US20050032219 US5279824 US20080124328 EP1393747A1 US20080119433 US20080219931 US20070270330 WO1998037920A1 US20090105252 US5223530 US20040126834 EP0706802A3 WO2010048586A1 WO2000015639A1 EP1079017A2 US20100267116 US20030157648 US20050137329 WO2002072093A2 WO2004108725A1
KEGG Ligand C01996
LINCS LSM-5888
Nikkaji J4.127K
NMRShiftDB 10017763
PDBe ACH
PharmGKB PA448031
PubChem 187
PubChem: Thomson Pharma 15041454
Recon ach
SureChEMBL SCHEMBL3216
ZINC ZINC03079336

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