Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2425367

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1

Basic Information

ChEMBL ID CHEMBL2425367
Phase Preclinical
Structure Type MOL
InChI Key NHTBLWMLKNYBKI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
5.17
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40N6
MW 508.71
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 28.0 nM 7.55 Inhibition of telomerase (unknown origin) by TRAP assay 23974014

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9594-4 Telomerase reverse transcriptase 1
23974014 10.1016/j.ejmech.2013.07.022 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine