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Compound Detail

CHEMBL5285736

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O=C(O)c1ccc2nc3c4c(O)ccc(O)c4c(=O)c(Cl)c-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285736
Phase Preclinical
Structure Type MOL
InChI Key QWQBZQBZQJVGBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.7
MW (Da)
3.21
ALogP
6
HBA
3
HBD
120.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H8ClNO6
MW 357.71
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.33 5.33 4710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4710.0 nM 5.33 Inhibition of pre-miR-21 (unknown origin) by FP assay 31931338

Literature References

PubMed DOI Target Context # Activities
31931338 10.1016/j.ejmech.2019.112008 Unchecked 1

Data from ChEMBL 36 via Core Engine