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

Compound InformationSONAR Target prediction
Name:

IRINOTECAN HYDROCHLORIDE

Unique Identifier:SPE01505821
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C33ClH39N4O6
Molecular Weight:583.829 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CCc1c2CN3C(=O)C4COC(=O)C(O)(CC)C=4C=C3c2nc2ccc(OC(=O)N3CCC(CC3)N3CC
CCC3)cc21
Source:semisynthetic; U-101440
Therapeutics:antineoplastic; topoisomerase I inhibitor

Found: 91 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [91]
Species: 4932
Condition: SSE1
Replicates: 2
Raw OD Value: r im 0.4788±0.0216375
Normalized OD Score: sc h 1.0234±0.00692915
Z-Score: 0.6179±0.154365
p-Value: 0.53907
Z-Factor: -3.89009
Fitness Defect: 0.6179
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-01 YYYY-MM-DD
Plate CH Control (+):0.041825±0.00151
Plate DMSO Control (-):0.44795±0.01922
Plate Z-Factor:0.8568
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1530 | Additional Members: 9 | Rows returned: 6
SPE01504123 0.178082191780822
LAT002A02 0
LOPAC 00814 0
SPE01502232 0
Prest102 0
LAT003C09 0

Service provided by the Mike Tyers Laboratory