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Compound InformationSONAR Target prediction
Name:

PROMETHAZINE HYDROCHLORIDE

Unique Identifier:SPE01500510
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:299.714 g/mol
X log p:17.895  (online calculus)
Lipinksi Failures1
TPSA31.78
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:3
Canonical Smiles:Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Source:synthetic
Therapeutics:antihistaminic
Generic_name:Promethazine
Chemical_iupac_name:N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
Drug_type:Approved Drug
Kegg_compound_id:C07404
Drugbank_id:APRD00601
Melting_point:60oC
H2o_solubility:Freely soluble
Logp:4.946
Cas_registry_number:60-87-7
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C60877&Index=0&Type=Mass&Large=on
Drug_category:Anti-allergic Agents; Antipruritics; Phenothiazine Derivatives; ATC:D04AA10;
ATC:R06AD02; ATC:R06AD05
Indication:For the treatment of allergic disorders, itching, nausea and vomiting.
Pharmacology:Promethazine, a phenothiazine, is an H1-antagonist with anticholinergic, sedative,
and antiemetic effects and some local anesthetic properties. Promethazine is used as
an antiemetic or to prevent motion sickness.
Mechanism_of_action:Like other H1-antagonists, promethazine competes with free histamine for binding at
H1-receptor sites in the GI tract, uterus, large blood vessels, and bronchial
muscle. The relief of nausea appears to be related to central anticholinergic
actions and may implicate activity on the medullary chemoreceptor trigger zone.
Organisms_affected:Humans and other mammals

Found: 16 active | as graph: single | with analogs << Back 11 12 13 14 15 16
Species: 4932
Condition: FKS1
Replicates: 2
Raw OD Value: r im 0.5740±0.01492
Normalized OD Score: sc h 0.8444±0.0252954
Z-Score: -6.8548±1.35465
p-Value: 0.00000000185202
Z-Factor: 0.114388
Fitness Defect: 20.107
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2006-04-11 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00169
Plate DMSO Control (-):0.5949249999999999±0.01904
Plate Z-Factor:0.9116
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DBLink | Rows returned: 12<< Back 1 2
517306 dimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium chloride
657263 N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; hydrogen(+1) cation; chloride
667687 (2S)-N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine
688096 (2R)-N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine
6919171 dimethyl-[(2S)-1-phenothiazin-10-ylpropan-2-yl]azanium
6921597 dimethyl-[(2R)-1-phenothiazin-10-ylpropan-2-yl]azanium

internal high similarity DBLink | Rows returned: 3
SPE01500293 0.9677
LOPAC 00147 1.0000
RH 01503 1.0000

active | Cluster 7451 | Additional Members: 8 | Rows returned: 1
SPE01500293 0.266666666666667

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