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Compound Detail

CHEMBL390725

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O=c1cc(-c2ccc3[nH]cnc3c2)oc2c(O)c(O)ccc12

Basic Information

ChEMBL ID CHEMBL390725
Phase Preclinical
Structure Type MOL
InChI Key LZCZCAFIEAVBQZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.75
ALogP
5
HBA
3
HBD
99.3
PSA (Ų)
0.47
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 C16H10N2O4
MW 294.27
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 0.44

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.4 5.4 4000.0 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