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Compound Detail

CHEMBL376279

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COc1ccc2c(=O)cc(-c3ccc4[nH]c(CCCN(C)C)nc4c3)oc2c1OC

Basic Information

ChEMBL ID CHEMBL376279
Phase Preclinical
Structure Type MOL
InChI Key SBKAZLULBNKBCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.85
ALogP
6
HBA
1
HBD
80.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O4
MW 407.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 6.33 6.33 470.0 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