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Compound Detail

CHEMBL4283409

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Clc1cccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283409
Phase Preclinical
Structure Type MOL
InChI Key JBJDLWPSFZCGLI-UHFFFAOYSA-N
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.7
MW (Da)
2.86
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9ClN6
MW 296.72
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.81

Activity Summary

IC50 11 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2A
CHEMBL1938210
 IC50 7.0 6.63 100.0 2
Lysine-specific demethylase 2B
CHEMBL3779760
 IC50 7.0 6.51 100.0 4
Unchecked
CHEMBL612545
 IC50 6.52 6.0133 300.0 3
Histone lysine demethylase PHF8
CHEMBL1938212
 IC50 6.0 5.63 1000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 2B IC50 = 100.0 nM 7.0 Inhibition of recombinant human C-terminal FLAG-tagged FBXL10 (1 to 650 residues... -
Lysine-specific demethylase 2A IC50 = 100.0 nM 7.0 Inhibition of recombinant human C-terminal FLAG-tagged FBXL11 expressed in bacul... -
Lysine-specific demethylase 2B IC50 = 300.0 nM 6.52 FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... -
Unchecked IC50 = 300.0 nM 6.52 FBXL11 Assay: PHF8 Assay: The ability of test compounds to inhibit the activity ... -
Lysine-specific demethylase 2B IC50 = 550.0 nM 6.26 FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... -
Unchecked IC50 = 550.0 nM 6.26 FBXL11 Assay: The ability of test compounds to inhibit the activity of FBXL11 wa... -
Lysine-specific demethylase 2B IC50 = 550.0 nM 6.26 FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... -
Lysine-specific demethylase 2A IC50 = 550.0 nM 6.26 FBXL11 Assay: The ability of test compounds to inhibit the activity of FBXL11 wa... -
Histone lysine demethylase PHF8 IC50 = 1000.0 nM 6.0 Inhibition of recombinant human N-terminal FLAG-tagged PHF8 expressed in baculov... -
Unchecked IC50 = 5500.0 nM 5.26 PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... -
Histone lysine demethylase PHF8 IC50 = 5500.0 nM 5.26 PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was de... -

Data from ChEMBL 36 via Core Engine