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Compound InformationSONAR Target prediction
Name:

TUBOCURARINE CHLORIDE

Unique Identifier:SPE01500602
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:603.858 g/mol
X log p:22.823  (online calculus)
Lipinksi Failures1
TPSA40.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:2
Canonical Smiles:[ClH-].COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c32)cc7)N
(C)CCc6cc5OC)c4
Class:alkaloid
Source:Chondodendron spp
Reference:Nature 158: 515 (1946); Chem Commun 1970: 1020
Therapeutics:muscle relaxant (skeletal)
Generic_name:Tubocurarine
Drug_type:Approved Drug
Pharmgkb_id:PA451811
Drugbank_id:APRD00176
Cas_registry_number:6989-98-6
Drug_category:Neuromuscular Nondepolarizing Agents; Skeletal Muscle Relaxants; ATC:M03AA02;
ATC:M03AA04
Indication:Used as a diagnosis agent for myasthenia gravis; Used to facilitate the intubation
after induction of anesthesia in surgical procedure
Pharmacology:Tubocurarine, a naturally occurring alkaloid, is used to treat smoking withdrawl
syndrom.
Mechanism_of_action:Tubocurarine, the chief alkaloid in tobacco products, binds stereo-selectively to
nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at
neuromuscular junctions, and in the brain. Two types of central nervous system
effects are believed to be the basis of Tubocurarine-s positively reinforcing
properties. A stimulating effect is exerted mainly in the cortex via the locus
ceruleus and a reward effect is exerted in the limbic system. At low doses the
stimulant effects predominate while at high doses the reward effects predominate.
Intermittent intravenous administration of Tubocurarine activates neurohormonal
pathways, releasing acetylcholine, norepinephrine, dopamine, serotonin, vasopressin,
beta-endorphin, growth hormone, and ACTH.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [205]
Species: 4932
Condition: RPN1
Replicates: 2
Raw OD Value: r im 0.6450±0.0146371
Normalized OD Score: sc h 0.9882±0.0184862
Z-Score: -0.5922±0.930313
p-Value: 0.579478
Z-Factor: -10.7788
Fitness Defect: 0.5456
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-28 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00072
Plate DMSO Control (-):0.64465±0.01465
Plate Z-Factor:0.9232
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DBLink | Rows returned: 602 3 4 5 6 7 8 9 10 Next >> 
1210
1211
6000
14947
23422
64645

internal high similarity DBLink | Rows returned: 1
SPE01504185 0.9868

active | Cluster 3866 | Additional Members: 5 | Rows returned: 0

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