CARBACHOL

Search structure
Trade Names:
Synonyms:
Status: Approved (1972)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N07AB01
UNII: 54Z8M50D6Q

Structure
InChI Key VPJXQGSRWJZDOB-UHFFFAOYSA-O
Smile C[N+](C)(C)CCOC(N)=O
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N2O2+
Molecular Weight 147.2
AlogP -0.21
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Muscarinic acetylcholine receptor M3 agonist ISBN PubMed PubMed Wikipedia
Primary Target
M3 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 8-66000 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 7640-7640 - 1100 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 1100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
4-12100 7-33000 15400-17000 700-13800 17-100
Other cytosolic protein
- - - - 105
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Presbyopia 2 D011305 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
57.89
Nervous system disorders
15.79
Injury, poisoning and procedural complications
10.53
General disorders and administration site conditions
7.89
Cardiac disorders
2.63
Vascular disorders
2.63
Product issues
2.63

Cross References

Resources Reference
ChEMBL CHEMBL965
DrugBank DB00411
DrugCentral 488
EPA CompTox DTXSID0048397
FDA SRS 54Z8M50D6Q
Human Metabolome Database HMDB0014555
Guide to Pharmacology 298
PDB CCE
PharmGKB PA448784
PubChem 5831
SureChEMBL SCHEMBL2792
ZINC ZINC000003079342
ChEBI 3385
ChEMBL CHEMBL14
DrugBank DB00411
EPA CompTox DTXSID9022730
FDA SRS 8Y164V895Y
Guide to Pharmacology 298
PDB CCE
PubChem 5831
SureChEMBL SCHEMBL2791
ZINC ZINC03079342
CONTENTS