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Compound Detail

CHEMBL2321890

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CC1=NN2C(=O)COc3ccc(C(F)(F)F)cc3C2C1

Basic Information

ChEMBL ID CHEMBL2321890
Phase Preclinical
Structure Type MOL
InChI Key CPOLUOFGIGGXAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
2.75
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11F3N2O2
MW 284.24
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.5 5.5 3140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23265905 10.1016/j.bmcl.2012.11.101 Molecular identity unknown 1
23265905 10.1016/j.bmcl.2012.11.101 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine