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Compound InformationSONAR Target prediction
Name:

FLURANDRENOLIDE

Unique Identifier:SPE01501175
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:403.252 g/mol
X log p:-0.441  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO
Source:semisynthetic
Therapeutics:antiinflammatory
Generic_name:Flurandrenolide
Chemical_iupac_name:6-fluoro-11,21 dihydroxy-16,17-[(l-methylethylidene) bis (oxy)]-, (6?, 11?, 16?)-
Pregn-4-ene-3,20-dione
Drug_type:Approved Drug
Pharmgkb_id:PA449680
Kegg_compound_id:D00328
Drugbank_id:APRD00982
Melting_point:251 oC
H2o_solubility:Insoluble
Logp:2.887
Cas_registry_number:1524-88-5
Drug_category:Anti-Inflammatory Agents; Glucocorticoids
Indication:For relief of the inflammatory and pruritic manifestations of
corticosteroid-responsive dermatoses, particularly dry, scaling localized lesions
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6362±0.0157685
Normalized OD Score: sc h 1.0057±0.00811474
Z-Score: 0.2718±0.385873
p-Value: 0.792578
Z-Factor: -7.57845
Fitness Defect: 0.2325
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00117
Plate DMSO Control (-):0.6094250000000001±0.01417
Plate Z-Factor:0.9269
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DBLink | Rows returned: 4
3392
15209
5702172
6604301

internal high similarity DBLink | Rows returned: 1
SPE01501187 0.9043

active | Cluster 2095 | Additional Members: 14 | Rows returned: 0

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