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

CHEMBL5783478

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(CO)c(-c2cn3cc(NCCN)c(C)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5783478
Phase Preclinical
Structure Type MOL
InChI Key GFCSALIUSRJHDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.9
MW (Da)
2.83
ALogP
6
HBA
3
HBD
84.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN4O2
MW 360.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.37 8.37 4.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine