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Compound Detail

CHEMBL1447124

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Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1447124
Phase Preclinical
Structure Type MOL
InChI Key QEDKUJMGQFOTIU-UHFFFAOYSA-N
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
3.64
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.86
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 C19H15ClN2O3
MW 354.79
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.70

Activity Summary

IC50 6 meas. best 5.27
EC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
 IC50 5.27 5.27 5402.3 1
Large ribosomal subunit protein eL19A
CHEMBL1741172
 EC50 5.12 5.12 7493.0 1
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
CHEMBL1741212
 IC50 4.85 4.5067 14100.0 3
C-C chemokine receptor type 6
CHEMBL4423
 IC50 4.45 4.45 35900.0 1
Glucose-6-phosphate 1-dehydrogenase
CHEMBL5347
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 5402.3 nM 5.27 PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... -
Large ribosomal subunit protein eL19A EC50 = 7493.0 nM 5.12 PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 14100.0 nM 4.85 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
C-C chemokine receptor type 6 IC50 = 35900.0 nM 4.45 PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 43500.0 nM 4.36 PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... -
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase IC50 = 49200.0 nM 4.31 PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... -
Glucose-6-phosphate 1-dehydrogenase IC50 = 50000.0 nM 4.3 PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... -

Data from ChEMBL 36 via Core Engine