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Compound Detail

CHEMBL420982

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O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)ccc12

Basic Information

ChEMBL ID CHEMBL420982
Phase Preclinical
Structure Type MOL
InChI Key HJCIUNMVLYBADX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
2.58
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10O5
MW 270.24
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 1.17

Activity Summary

IC50 2 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Telomerase reverse transcriptase
CHEMBL2916
IC50 5.52 5.52 3000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11170636 10.1021/jm0004190 Staphylococcus aureus 1
15588081 10.1021/jm040810b Telomerase reverse transcriptase 1
17637507 10.1016/j.bmc.2007.06.025 Serine/threonine-protein kinase pim-1 1
21073191 10.1021/jm101206p BDNF/NT-3 growth factors receptor 1
- 10.1039/C0MD00241K Telomerase reverse transcriptase 1

Data from ChEMBL 36 via Core Engine