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

CHEMBL4211946

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
COc1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211946
Phase Preclinical
Structure Type MOL
InChI Key NXQKMWGCRMQRSS-ZDUSSCGKSA-N
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.32
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.89
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 C18H20N2O3
MW 312.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.28

Activity Summary

IC50 5 meas. best 8.22
EC50 2 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
 IC50 8.22 6.75 6.0 4
Unchecked
CHEMBL612545
 IC50 6.26 6.26 550.0 1
Lysine-specific demethylase 4C
CHEMBL6175
 EC50 6.25 6.25 560.0 1
KYSE-150 cell line
CHEMBL613998
 EC50 6.08 6.08 830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4C IC50 = 6.0 nM 8.22 Inhibition of KDM4C (unknown origin) using biotinylated H3K9me3 peptide and alph... 28835804
Unchecked IC50 = 550.0 nM 6.26 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C 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 4C IC50 = 550.0 nM 6.26 Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET): JMJD2C: The abil... -
Lysine-specific demethylase 4C IC50 = 550.0 nM 6.26 In Vitro Enzyme Inhibition Assay: JMJD2C: The ability of test compounds to inhib... -
Lysine-specific demethylase 4C EC50 = 560.0 nM 6.25 Inhibition of full-length KDM4C (unknown origin) expressed in human KYSE-150 cel... 28835804
KYSE-150 cell line EC50 = 830.0 nM 6.08 Antiproliferative activity against human KYSE-150 cells after 168 hrs by 5-bromo... 28835804

Literature References

PubMed DOI Target Context # Activities
28835804 10.1021/acsmedchemlett.7b00220 Unchecked 4
28835804 10.1021/acsmedchemlett.7b00220 Lysine-specific demethylase 4C 3
28835804 10.1021/acsmedchemlett.7b00220 No relevant target 1
28835804 10.1021/acsmedchemlett.7b00220 IMR-90 1
28835804 10.1021/acsmedchemlett.7b00220 Lysine-specific histone demethylase 1A 1
28835804 10.1021/acsmedchemlett.7b00220 KYSE-150 cell line 1

Data from ChEMBL 36 via Core Engine