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Compound Detail

CHEMBL202820

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O=C(CN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCCC4)cc3nc2c1

Basic Information

ChEMBL ID CHEMBL202820
Phase Preclinical
Structure Type MOL
InChI Key RGHKPLRVHYUFND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.46
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O2
MW 431.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
EC50 5.28 5.28 5200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase EC50 = 5200.0 nM 5.28 Inhibition of telomerase activity from human A2780 cells 16420044

Literature References

PubMed DOI Target Context # Activities
16420044 10.1021/jm050555a Telomerase reverse transcriptase 1
16420044 10.1021/jm050555a Nucleic Acid 1

Data from ChEMBL 36 via Core Engine