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Compound Detail

CHEMBL593976

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COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593976
Phase Preclinical
Structure Type MOL
InChI Key FJEOIDUPEMASKE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.72
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14N2O4
MW 370.36
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SF-295
CHEMBL614908
 IC50 4.87 4.87 13610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SF-295 IC50 = 13610.0 nM 4.87 Cytotoxicity against human SF295 cells after 72 hrs by MTT assay 21115213

Literature References

PubMed DOI Target Context # Activities
19804981 10.1016/j.bmc.2009.09.033 NON-PROTEIN TARGET 5
19804981 10.1016/j.bmc.2009.09.033 Telomerase reverse transcriptase 4
21115213 10.1016/j.ejmech.2010.11.006 SF-295 1
19804981 10.1016/j.bmc.2009.09.033 CCRF-CEM 1
19804981 10.1016/j.bmc.2009.09.033 OVCAR-8 1
19804981 10.1016/j.bmc.2009.09.033 UACC-62 1
19804981 10.1016/j.bmc.2009.09.033 HCT-116 1
19804981 10.1016/j.bmc.2009.09.033 NCI-H460 1
19804981 10.1016/j.bmc.2009.09.033 EKVX 1
19804981 10.1016/j.bmc.2009.09.033 PC-3 1
19804981 10.1016/j.bmc.2009.09.033 DU-145 1
19804981 10.1016/j.bmc.2009.09.033 SK-MEL-5 1
19804981 10.1016/j.bmc.2009.09.033 MDA-MB-231 1
19804981 10.1016/j.bmc.2009.09.033 SNB-75 1
19804981 10.1016/j.bmc.2009.09.033 T47D 1
19804981 10.1016/j.bmc.2009.09.033 OVCAR-4 1
19804981 10.1016/j.bmc.2009.09.033 SK-MEL-2 1
19804981 10.1016/j.bmc.2009.09.033 UO-31 1
19804981 10.1016/j.bmc.2009.09.033 SR 1
19804981 10.1016/j.bmc.2009.09.033 NCI-H522 1

Data from ChEMBL 36 via Core Engine