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Compound Detail

CHEMBL2425362

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C[N+](C)(C)CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O

Basic Information

ChEMBL ID CHEMBL2425362
Phase Preclinical
Structure Type MOL
InChI Key JPTVXMVUBZXIEM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20NO4+
MW 350.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.27 5.27 5400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 5400.0 nM 5.27 Inhibition of telomerase (unknown origin) by TRAP assay 23974014

Literature References

PubMed DOI Target Context # Activities
23974014 10.1016/j.ejmech.2013.07.022 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine