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Compound Detail

CHEMBL1392335

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O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccco1

Basic Information

ChEMBL ID CHEMBL1392335
Phase Preclinical
Structure Type MOL
InChI Key CIIVDZAOJONZNU-NDUUIVGLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.18
ALogP
4
HBA
0
HBD
51.8
PSA (Ų)
0.63
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 C16H11NO3
MW 265.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.99

Activity Summary

IC50 4 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
IC50 5.61 5.44 2440.0 2
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 5.44 5.305 3620.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine