Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: GBP2
Replicates: 2
Raw OD Value: r im 0.6782±0.0194454
Normalized OD Score: sc h 0.9541±0.0130499
Z-Score: -2.0066±0.529325
p-Value: 0.0599394
Z-Factor: -1.5591
Fitness Defect: 2.8144
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-03-26 YYYY-MM-DD
Plate CH Control (+):0.040925±0.00168
Plate DMSO Control (-):0.68175±0.01888
Plate Z-Factor:0.8849
png
ps
pdf

DBLink | Rows returned: 60<< Back 1 2 3 4 5 6 7 8 9 10 Next >> 
6604510
6604511
6713589
6713947
7067819
7067820

internal high similarity DBLink | Rows returned: 1
SPE01504185 0.9868

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

Service provided by the Mike Tyers Laboratory