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Compound Detail

CHEMBL274335

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CN(C)CCCNc1[nH]c2ccccc2c2nc3c(ccc4ccc([N+](=O)[O-])cc43)c1-2

Basic Information

ChEMBL ID CHEMBL274335
Phase Preclinical
Structure Type MOL
InChI Key ZIWRVVOPHMKGJU-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.25
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N5O2
MW 413.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.77

Activity Summary

IC50 3 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 6.3 6.3 500.0 2
DNA polymerase I, thermostable
CHEMBL3564
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11909720 10.1016/s0960-894x(02)00080-x Telomerase reverse transcriptase 1
11909720 10.1016/s0960-894x(02)00080-x DNA polymerase I, thermostable 1
23974014 10.1016/j.ejmech.2013.07.022 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine