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Compound InformationSONAR Target prediction
Name:

PUTRESCINE DIHYDROCHLORIDE

Unique Identifier:SPE01503952
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C4Cl2H14N2
Molecular Weight:146.962 g/mol
X log p:-1.132  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:3
Canonical Smiles:Cl.Cl.NCCCCN
Source:ex catabolism of ornithine
Therapeutics:ornithine decarboxylase inhibitor, cell growth factor
Generic_name:PUTRESCINE
Chemical_iupac_name:1,4-DIAMINOBUTANE
Drug_type:Experimental
Kegg_compound_id:C00134
Drugbank_id:EXPT02702
Logp:-0.584
Cas_registry_number:110-60-1
Drug_category:S-Adenosylmethionine Decarboxylase Proenzyme inhibitor
Organisms_affected:-1

Found: 114 nonactive as graph: single | with analogs [1] << Back 111 112 113 114
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9597±0.0106773
Normalized OD Score: sc h 0.9302±0.0127679
Z-Score: -0.7944±0.310852
p-Value: 0.438028
Z-Factor: -0.557202
Fitness Defect: 0.8255
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|D11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001025±0.00256
Plate DMSO Control (-):0.9952500000000001±0.02580
Plate Z-Factor:0.9244
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DBLink | Rows returned: 112 Next >> 
1045 butane-1,4-diamine
9532 butane-1,4-diamine dihydrochloride
60408 (2R)-2-methylbutane-1,4-diamine
193504 2-methylbutane-1,4-diamine
444372 azane; butane-1,4-diamine; platinum
450536 butane-1,4-diamine

internal high similarity DBLink | Rows returned: 1
LOPAC 01154 1.0000

active | Cluster 4140 | Additional Members: 3 | Rows returned: 0

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