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Compound Detail

CHEMBL225211

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N#Cc1c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc2c1=O

Basic Information

ChEMBL ID CHEMBL225211
Phase Preclinical
Structure Type MOL
InChI Key QTLGVNKQQSZQNC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
2.15
ALogP
7
HBA
4
HBD
134.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9NO6
MW 311.25
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.69

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15588081 10.1021/jm040810b Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine