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Compound Detail

CHEMBL2425363

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Cc1cc[n+](CCC(=O)Nc2ccc3nc4ccc(NC(=O)CC[n+]5ccc(C)cc5)cc4cc3c2)cc1

Basic Information

ChEMBL ID CHEMBL2425363
Phase Preclinical
Structure Type MOL
InChI Key GXABKJAVKCXMHV-UHFFFAOYSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
4.64
ALogP
3
HBA
2
HBD
78.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H31N5O2+2
MW 505.62
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 1300.0 nM 5.89 Inhibition of telomerase (unknown origin) by TRAP assay 23974014

Literature References

PubMed DOI Target Context # Activities
23974014 10.1016/j.ejmech.2013.07.022 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine