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Compound Detail

CHEMBL1278128

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COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)c(O)c1

Basic Information

ChEMBL ID CHEMBL1278128
Phase Preclinical
Structure Type MOL
InChI Key ABJDIBYQJRRITI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
3.79
ALogP
7
HBA
1
HBD
81.3
PSA (Ų)
0.55
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 C15H12ClN3O3S
MW 349.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Telomerase reverse transcriptase IC50 = 2300.0 nM 5.64 Inhibition of telomerase in human SGC7901 cells by TRAP assay 20947362

Literature References

PubMed DOI Target Context # Activities
20947362 10.1016/j.bmc.2010.09.051 SGC-7901 1
20947362 10.1016/j.bmc.2010.09.051 Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine