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Compound Detail

CHEMBL1447350

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Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1447350
Phase Preclinical
Structure Type MOL
InChI Key ACSISLCYYDRVIM-UHFFFAOYSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
3.33
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.87
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 C18H13ClN2O3
MW 340.77
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.36

Activity Summary

IC50 9 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial import inner membrane translocase subunit TIM23
CHEMBL1741180
 IC50 5.38 5.38 4130.0 1
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
 IC50 5.36 5.21 4360.0 2
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
CHEMBL1741212
 IC50 5.12 4.7167 7520.0 3
C-C chemokine receptor type 6
CHEMBL4423
 IC50 4.66 4.66 22000.0 1
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
 IC50 4.42 4.42 37700.0 1
Glucose-6-phosphate 1-dehydrogenase
CHEMBL5347
 IC50 4.31 4.31 48800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitochondrial import inner membrane translocase subunit TIM23 IC50 = 4130.0 nM 5.38 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Mitochondrial import inner membrane translocase subunit TIM10 IC50 = 4360.0 nM 5.36 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 7520.0 nM 5.12 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Mitochondrial import inner membrane translocase subunit TIM10 IC50 = 8630.0 nM 5.06 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
C-C chemokine receptor type 6 IC50 = 22000.0 nM 4.66 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 28200.0 nM 4.55 PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 33400.0 nM 4.48 PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... -
DNA dC->dU-editing enzyme APOBEC-3G IC50 = 37700.0 nM 4.42 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... -
Glucose-6-phosphate 1-dehydrogenase IC50 = 48800.0 nM 4.31 PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... -

Data from ChEMBL 36 via Core Engine