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Compound InformationSONAR Target prediction
Name:

Rifampicin

Unique Identifier:Prest833
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C43H58N4O12
Molecular Weight:764.48 g/mol
X log p:11.905  (online calculus)
Lipinksi Failures2
TPSA106.97
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:16
Rotatable Bond Count:5
Canonical Smiles:COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O
C(C)=O)C1C)c(C=NN1CCN(C)CC1)c(O)c4c3C2=O
Generic_name:RIFAMPICIN
Chemical_iupac_name:RIFAMPICIN
Drug_type:Experimental
Kegg_compound_id:C06688
Drugbank_id:EXPT02777
Logp:3.719
Cas_registry_number:13292-46-1
Drug_category:Orphan Nuclear Receptor Pxr inhibitor
Organisms_affected:-1

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 13358.0000±0
Normalized OD Score: sc h 0.7397±0
Z-Score: -7.2407±0
p-Value: 0.000000000000446236
Z-Factor: -0.456428
Fitness Defect: 28.4379
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|E6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18050±2247.77104
Plate DMSO Control (-):18225±2038.51752
Plate Z-Factor:-32.1903
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 6557 | Additional Members: 7 | Rows returned: 2
Prest1296 0.411764705882353
SPE01500529 0

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