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Compound InformationSONAR Target prediction
Name:

CARBACHOL

Unique Identifier:SPE01500158
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:167.529 g/mol
X log p:0.119  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:[ClH-].C[N+](C)(C)CCOC(N)=O
Source:synthetic
Therapeutics:cholinergic, miotic
Generic_name:Carbachol
Chemical_iupac_name:2-carbamoyloxyethyl-trimethyl-ammonium
Drug_type:Approved Drug
Pharmgkb_id:PA448784
Kegg_compound_id:D00524
Drugbank_id:APRD00845
Melting_point:210 oC
H2o_solubility:1 g/ml
Logp:-3.78
Cas_registry_number:51-83-2
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C51832&Index=0&Type=Mass&Large=on
Drug_category:Analgesics, Non-Narcotic; Cardiotonic Agents; Cholinergic Agonists; Miotics;
ATC:N07AB01; ATC:S01EB02
Indication:Primarily used in the treatment of glaucoma, but is also used during ophthalmic
surgery.
Pharmacology:Carbachol is a potent cholinergic (parasympathomimetic) agent which produces
constriction of the iris and ciliary body resulting in reduction in intraocular
pressure. The exact mechanism by which carbachol lowers intraocular pressure is not
precisely known. In the cat and rat, carbachol is well-known for its ability to
induce rapid eye movement (REM) sleep when microinjected into the pontine reticular
formation. Carbachol elicits this REM sleep-like state via activation of
postsynaptic muscarinic cholinergic receptors (mAChRs).
Mechanism_of_action:Carbachol is a parasympathomimetic that stimulates both muscarinic and nicotinic
receptors. In topical ocular and intraocular administration its principal effects
are miosis and increased aqueous humour outflow.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.9385±0.00869741
Normalized OD Score: sc h 0.9380±0.00352835
Z-Score: -0.5712±0.196102
p-Value: 0.571588
Z-Factor: -0.623389
Fitness Defect: 0.5593
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:12|A9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0008250000000000001±0.00971
Plate DMSO Control (-):1.000075±0.02999
Plate Z-Factor:0.8945
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DBLink | Rows returned: 72 Next >> 
2551 2-carbamoyloxyethyl-trimethyl-azanium
5831 2-carbamoyloxyethyl-trimethyl-azanium chloride
48130 2-carbamoyloxyethyl-dimethyl-azanium chloride
48131 2-dimethylaminoethyl carbamate
200564 2-carbamoyloxyethyl-trimethyl-azanium iodide
206532 2-carbamoyloxyethyl-trimethyl-azanium bromide

internal high similarity DBLink | Rows returned: 1
LOPAC 00183 1.0000

active | Cluster 239 | Additional Members: 7 | Rows returned: 2
LOPAC 00736 0.451612903225806
SPE01500104 0.428571428571429

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