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Compound Detail

CHEMBL1319315

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CCOc1nc2ccccc2cc1C=O

Basic Information

ChEMBL ID CHEMBL1319315
Phase Preclinical
Structure Type MOL
InChI Key CESLWPRTYCZPSW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
2.45
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO2
MW 201.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.77 5.77 1690.0 1
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.46 5.46 3430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine