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Compound InformationSONAR Target prediction
Name:

BERBERINE CHLORIDE

Unique Identifier:SPE01500811
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:353.671 g/mol
X log p:15.013  (online calculus)
Lipinksi Failures1
TPSA39.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:[ClH-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
Class:alkaloid
Source:Berberis and Mahonia spp
Reference:Coll Czech Chem Comm 35:124 (1970); J Nat Prod 40:384 (1977); Agents Actions 14:401
(1984); Alkaloids 28:78 (1986); Life Sci 49:315 (1991); J Cardiovasc P
Therapeutics:antiarrhythmic, alpha2 agonist, cholinesterase, anticonvulsant, antiinflammatory,
antibacterial, antifungal, anti
Generic_name:BERBERINE
Chemical_iupac_name:BERBERINE
Drug_type:Experimental
Kegg_compound_id:C00757
Drugbank_id:EXPT00672
Logp:4.473
Cas_registry_number:2086-83-1
Drug_category:Hypothetical Transcriptional Regulator In Qa inhibitor
Organisms_affected:-1

Found: 239 active | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [239]
Species: 4932
Condition: CKA2
Replicates: 2
Raw OD Value: r im 0.3237±0.000919239
Normalized OD Score: sc h 0.3777±0.00150697
Z-Score: -22.3745±0.968094
p-Value: 0
Z-Factor: 0.8737
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-04-03 YYYY-MM-DD
Plate CH Control (+):0.0388±0.00207
Plate DMSO Control (-):0.8374±0.02059
Plate Z-Factor:0.9080
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DBLink | Rows returned: 102 Next >> 
2353
8340
12456
72350
155071
155074

internal high similarity DBLink | Rows returned: 2
SPE00300517 0.9275
SPE01500872 0.9471

active | Cluster 10382 | Additional Members: 9 | Rows returned: 4
Prest374 0.328358208955224
Prest91 0
LAT002A08 0
LAT004G09 0

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