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Compound Detail

CHEMBL2426136

NAMOLINE
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O=c1c(Cl)c(C(F)(F)F)oc2ccc([N+](=O)[O-])cc12

Basic Information

ChEMBL ID CHEMBL2426136
Name NAMOLINE
Phase Preclinical
Structure Type MOL
InChI Key DYEGRZKBJMKSKD-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

293.6
MW (Da)
3.37
ALogP
4
HBA
0
HBD
73.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H3ClF3NO4
MW 293.58
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.10

Activity Summary

IC50 5 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 4.29 4.29 51000.0 5

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24007511 10.1021/jm400792m Lysine-specific histone demethylase 1A 1
24237195 10.1021/jm400870h Lysine-specific histone demethylase 1A 1
27046190 10.1021/acs.jmedchem.6b00078 Lysine-specific histone demethylase 1A 1
29247860 10.1016/j.ejmech.2017.12.001 Lysine-specific histone demethylase 1A 1
33619958 10.1021/acs.jmedchem.0c02176 Lysine-specific histone demethylase 1A 1
38214982 10.1021/acs.jmedchem.3c02133 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine