Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4288884

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288884
Phase Preclinical
Structure Type MOL
InChI Key WAPIESSEOAYVNJ-UHFFFAOYSA-N
4
Targets
16
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.86
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O4
MW 339.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.07

Activity Summary

IC50 16 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4A
CHEMBL5896
 IC50 7.26 6.608 55.0 5
Lysine-specific demethylase 4C
CHEMBL6175
 IC50 7.26 6.608 55.0 5
Lysine-specific demethylase 5A/5B
CHEMBL4296073
 IC50 7.0 7.0 100.0 1
Lysine-specific demethylase 2B
CHEMBL3779760
 IC50 6.0 5.408 1000.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4C IC50 = 55.0 nM 7.26 Activity Assay: The ability of test compounds to inhibit the activity of JMJD2C ... -
Lysine-specific demethylase 4A IC50 = 55.0 nM 7.26 Activity Assay: The ability of test compounds to inhibit the activity of JMJD2A ... -
Lysine-specific demethylase 4C IC50 = 100.0 nM 7.0 Inhibition of recombinant human N-terminal GST-tagged JMJD2C (2 to 372 residues)... -
Lysine-specific demethylase 4A IC50 = 100.0 nM 7.0 Inhibition of recombinant human N-terminal His-tagged JMJD2A (1 to 350 residues)... -
Lysine-specific demethylase 5A/5B IC50 = 100.0 nM 7.0 Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3... -
Lysine-specific demethylase 4C IC50 = 550.0 nM 6.26 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... -
Lysine-specific demethylase 4A IC50 = 550.0 nM 6.26 JMJD2A Assay: The ability of test compounds to inhibit the activity of JMJD2A wa... -
Lysine-specific demethylase 4C IC50 = 550.0 nM 6.26 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... -
Lysine-specific demethylase 4A IC50 = 550.0 nM 6.26 JMJD2A Assay: The ability of test compounds to inhibit the activity of JMJD2A wa... -
Lysine-specific demethylase 4C IC50 = 550.0 nM 6.26 In Vitro Enzyme Inhibition Assay: The ability of test compounds to inhibit the a... -
Lysine-specific demethylase 4A IC50 = 550.0 nM 6.26 In Vitro Enzyme Inhibition Assay: The ability of test compounds to inhibit the a... -
Lysine-specific demethylase 2B IC50 = 1000.0 nM 6.0 Inhibition of recombinant human C-terminal FLAG-tagged FBXL10 (1 to 650 residues... -
Lysine-specific demethylase 2B IC50 = 5500.0 nM 5.26 FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... -
Lysine-specific demethylase 2B IC50 = 5500.0 nM 5.26 Activity Assay: The ability of test compounds to inhibit the activity of FBXL10 ... -
Lysine-specific demethylase 2B IC50 = 5500.0 nM 5.26 FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... -
Lysine-specific demethylase 2B IC50 = 5500.0 nM 5.26 In Vitro Enzyme Inhibition Assay: The ability of test compounds to inhibit the a... -

Data from ChEMBL 36 via Core Engine