Details of the Drug

General Information of Drug (ID: DMX9K8F)

Drug Name
Carbachol
Synonyms
Carbach; Carbacholin; Carbacholine; Carbacholinum; Carbacholum; Carbacol; Carbacolina; Carbacolo; Carbamiotin; Carbamoylcholine; Carbastat; Carbochol; Carbocholin; Carbocholine; Carbyl; Carcholin; Coletyl; Doryl; Jestryl; Karbachol; Lentin; Lentine; Miostat; Moryl; Rilentol; Vasoperif; CARBACHOL CHLORIDE; Carbachol hydrochloride; Carbacholine chloride; Carbacholini chloridum; Carbacholinium chloratum; Carbacholum chloratum; Carbacolo [DCIT]; Carbaminocholine chloride; Carbaminoylcholine chloride; Carbamoylcholine chloride; Carbamylcholine chloride; Choline carbamate chloride; Choline chloride carbamate; Choline chlorine carbamate; Isopto Carbachol; Karbachol [Czech]; Karbamoylcholin chlorid; Karbamoylcholin chlorid [Czech]; Lentine [French]; Mistura C; C 4382; TL 457; C-1770; Carbacholum [INN-Latin]; Carbacol [INN-Spanish]; Carbamic acid, ester with choline chloride; Carbamoylcholine-hydrochloride; Carbastat (TN); Carboptic (TN); Choline chloride, carbamate; Doryl (VAN); Doryl (pharmaceutical); Gamma-Carbamoyl choline chloride; Isopto Carbachol (TN); Miostat (TN); Carbachol [INN:BAN:JAN]; Choline, chloride carbamate(ester); Choline, chloride, carbamate; P. V. Carbachol; Carbachol (JAN/USP/INN); Choline, chloride, carbamate, hydrochloride; Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride; Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1); (2-Carbamoyloxy-ethyl)-trimethyl-ammonium; (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol); (2-Carbamoyloxyethyl)trimethylammonium chloride; (2-Hydroxyethyl)trimethyl ammonium chloride carbamate; (2-Hydroxyethyl)trimethylammonium chloride carbamate; (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride; 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride; 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride; 2-carbamoyloxyethyl(trimethyl)azanium chloride
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Approved [1]
Therapeutic Class
Cardiotonic Agents
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 182.65
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
ADMET Property
Metabolism
The drug is metabolized via the acetylcholinesterase [2]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Hypothalamus and pituitary gland disorders Not Available MT-CO1 OTG3O9BN [3]
Hypothalamus and pituitary gland disorders Not Available PTGER1 OTZV8W66 [3]
Seizure Not Available FOS OTJBUVWS [3]
Chemical Identifiers
Formula
C6H15ClN2O2
IUPAC Name
2-carbamoyloxyethyl(trimethyl)azanium;chloride
Canonical SMILES
C[N+](C)(C)CCOC(=O)N.[Cl-]
InChI
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKey
AIXAANGOTKPUOY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5831
ChEBI ID
CHEBI:3385
CAS Number
51-83-2
DrugBank ID
DB00411
TTD ID
D0U7BW
ACDINA ID
D00912

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2) TTF4E0J ACHA2_HUMAN Antagonist [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Acetylcholinesterase (ACHE) OT2H8HG6 ACES_HUMAN Biotransformations [5]
Aquaporin-5 (AQP5) OT77GBY8 AQP5_HUMAN Protein Interaction/Cellular Processes [6]
Cytochrome c oxidase subunit 1 (COX1) OTG3O9BN COX1_HUMAN Drug Response [3]
Lysozyme C (LYZ) OTD7H0G6 LYSC_HUMAN Protein Interaction/Cellular Processes [7]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Gene/Protein Processing [8]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Gene/Protein Processing [8]
Muscarinic acetylcholine receptor M1 (CHRM1) OTKW3E6B ACM1_HUMAN Gene/Protein Processing [9]
Muscarinic acetylcholine receptor M2 (CHRM2) OTUMZ2WR ACM2_HUMAN Drug Response [10]
Muscarinic acetylcholine receptor M3 (CHRM3) OTKSD095 ACM3_HUMAN Gene/Protein Processing [11]
Muscarinic acetylcholine receptor M4 (CHRM4) OTF0F0FF ACM4_HUMAN Drug Response [10]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Hydrochloric acid E00015 313 Acidulant
Potassium chloride E00074 4873 Tonicity agent
Sodium acetate E00431 517045 Antimicrobial preservative; Buffering agent; Flavoring agent
Calcium chloride E00474 5284359 Antimicrobial preservative; Desiccant
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium citrate dihydrate E00369 71474 Alkalizing agent; Buffering agent; Complexing agent; Emulsifying agent
Sodium hydroxide E00234 14798 Alkalizing agent
Water E00035 962 Solvent
Magnesium chloride E00479 5360315 Viscosity-controlling agent
⏷ Show the Full List of 9 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Carbachol 0.01% solution 0.01% Solution Ophthalmic
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 298).
2 Rodrigues WC, Castro C, Catbagan P, Moore C, Wang G: Immunoassay screening of diphenhydramine (Benadryl(R)) in urine and blood using a newly developed assay. J Anal Toxicol. 2012 Mar;36(2):123-9. doi: 10.1093/jat/bkr015.
3 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
4 Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33.
5 Molecular basis of inhibition of substrate hydrolysis by a ligand bound to the peripheral site of acetylcholinesterase. Chem Biol Interact. 2010 Sep 6;187(1-3):135-41. doi: 10.1016/j.cbi.2010.05.009. Epub 2010 May 21.
6 Histamine H1 receptor induces cytosolic calcium increase and aquaporin translocation in human salivary gland cells. J Pharmacol Exp Ther. 2009 Aug;330(2):403-12.
7 Regulation of antiprotease and antimicrobial protein secretion by airway submucosal gland serous cells. J Biol Chem. 2004 Sep 10;279(37):38854-60. doi: 10.1074/jbc.M407077200. Epub 2004 Jul 2.
8 Enhanced proliferation of SNU-407 human colon cancer cells by muscarinic acetylcholine receptors. BMB Rep. 2008 Nov 30;41(11):803-7. doi: 10.5483/bmbrep.2008.41.11.803.
9 Regional differences in functional receptor distribution and calcium mobilization in the intact human lens. Invest Ophthalmol Vis Sci. 2001 Sep;42(10):2355-63.
10 Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9.
11 Zinc oxide nanoparticle disruption of store-operated calcium entry in a muscarinic receptor signaling pathway. Toxicol In Vitro. 2010 Oct;24(7):1953-61. doi: 10.1016/j.tiv.2010.08.005. Epub 2010 Aug 12.