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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 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: FAA2
Replicates: 2
Raw OD Value: r im 0.5948±0.036416
Normalized OD Score: sc h 0.9012±0.0165771
Z-Score: -5.3988±0.502734
p-Value: 0.000000233148
Z-Factor: 0.0282074
Fitness Defect: 15.2716
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-05-27 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00059
Plate DMSO Control (-):0.6556500000000001±0.00997
Plate Z-Factor:0.9713
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DBLink | Rows returned: 122 Next >> 
4927 N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine
6014 N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine hydrochloride
6016 trimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium
20316 trimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium chloride
33359 trimethyl-(1-phenothiazin-10-ylpropan-2-yl)azanium iodide
169959 N-methyl-1-phenothiazin-10-yl-propan-2-amine

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

nonactive | Cluster 7451 | Additional Members: 8 | Rows returned: 6
SPE01504095 0.388888888888889
SPE01500512 0.314814814814815
Prest195 0.266666666666667
SPE01500293 0.266666666666667
Prest1176 0
LOPAC 00147 0

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