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Compound Detail

CHEMBL1187140

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CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL1187140
Phase Preclinical
Structure Type MOL
InChI Key QFEIUMFDMLPLHS-UHFFFAOYSA-O
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.80
ALogP
2
HBA
2
HBD
34.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FN4+
MW 351.45
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 310.0 nM 6.51 Inhibition of telomerase (unknown origin) 35716866

Literature References

PubMed DOI Target Context # Activities
35716866 10.1016/j.bmcl.2022.128862 Telomerase reverse transcriptase 1
35716866 10.1016/j.bmcl.2022.128862 Unchecked 1

Data from ChEMBL 36 via Core Engine