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

CHEMBL4241311

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=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4241311
Phase Preclinical
Structure Type MOL
InChI Key TYYAZOHZYNVFNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.2
MW (Da)
2.84
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrN2O6
MW 447.24
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 550.0 nM 6.26 Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) ... 30153955

Literature References

PubMed DOI Target Context # Activities
30153955 10.1016/j.bmc.2018.08.026 NB-4 3
30153955 10.1016/j.bmc.2018.08.026 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine