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Compound Detail

CHEMBL1985970

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COc1ccc(/C(N)=N/OC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1

Basic Information

ChEMBL ID CHEMBL1985970
Phase Preclinical
Structure Type MOL
InChI Key VJDJFURRMKOPKQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
3.20
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.38
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 C17H15F3N2O4
MW 368.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.98

Activity Summary

IC50 2 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 4.3 4.22 49730.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine