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Compound Detail

CHEMBL2323144

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COc1cccc2c1OCC(=O)N1N=C(C)CC21

Basic Information

ChEMBL ID CHEMBL2323144
Phase Preclinical
Structure Type MOL
InChI Key BOSKSAXLPWCOTQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.74
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.76
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 C13H14N2O3
MW 246.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 4.97 4.97 10820.0 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
29438888 10.1016/j.ejmech.2018.02.002 Acetylcholinesterase 1
29438888 10.1016/j.ejmech.2018.02.002 Cholinesterase 1

Data from ChEMBL 36 via Core Engine