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

CHEMBL5990392

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(-c2cn3ccc(N4CCN(CCC(=O)NCCN(C)C)CC4)cc3n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5990392
Phase Preclinical
Structure Type MOL
InChI Key NYUNHZVLDKLXKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

515.1
MW (Da)
2.35
ALogP
8
HBA
2
HBD
85.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35ClN6O3
MW 515.06
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 8.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
 IC50 8.45 8.45 3.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase SUV39H2 IC50 = 3.53 nM 8.45 Suv 39H2 Assay: Assay buffer (4 μL) was added into all the wells, including test... -

Data from ChEMBL 36 via Core Engine