Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

3beta-HYDROXY-23,24-BISNORCHOL-5-ENIC ACID

Unique Identifier:SPE00270043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H34O3
Molecular Weight:312.234 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(O)=O
Source:semisynthetic

Found: 98 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [98]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7493±0.00445477
Normalized OD Score: sc h 1.0140±0.00825869
Z-Score: 0.7366±0.422657
p-Value: 0.480992
Z-Factor: -5.53894
Fitness Defect: 0.7319
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00095
Plate DMSO Control (-):0.7031749999999999±0.01558
Plate Z-Factor:0.9242
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 17506 | Additional Members: 20 | Rows returned: 3
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835

Service provided by the Mike Tyers Laboratory