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

CHEMBL571951

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
COc1cc2nc(Cl)nc(NC3CCN(C)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571951
Phase Preclinical
Structure Type MOL
InChI Key GQUYPDZEIXUJLM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
2.81
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.87
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 C16H21ClN4O2
MW 336.82
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase EHMT2
CHEMBL6032
 IC50 5.04 5.04 9100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase EHMT2 IC50 = 9100.0 nM 5.04 Inhibition of G9a by Alpha screen assay 19891491

Literature References

PubMed DOI Target Context # Activities
19891491 10.1021/jm901543m Histone-lysine N-methyltransferase EHMT2 2
20614940 10.1021/jm100478y Histone-lysine N-methyltransferase EHMT2 2

Data from ChEMBL 36 via Core Engine