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Compound Detail

CHEMBL10763

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COc1ccc2ccc3c([nH]c4c5ccccc5nc(NCCN(C)C)c34)c2c1

Basic Information

ChEMBL ID CHEMBL10763
Phase Preclinical
Structure Type MOL
InChI Key GOCZKPDHVLYWBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
5.00
ALogP
4
HBA
2
HBD
53.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O
MW 384.48
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.01 5.01 9800.0 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
- 10.1007/s00044-011-9594-4 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine