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

CHEMBL5815468

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
COc1cc2c(cc1S(=O)(=O)Nc1noc3cc(Cn4cccn4)cc(OC)c13)CCCO2

Basic Information

ChEMBL ID CHEMBL5815468
Phase Preclinical
Structure Type MOL
InChI Key FGPGFGIPLJJJAX-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.22
ALogP
9
HBA
1
HBD
117.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O6S
MW 470.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

Activity Summary

Ki 3 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT6B
CHEMBL3774300
Ki 9.32 9.32 0.5 1
Histone acetyltransferase KAT6A
CHEMBL3774298
Ki 9.14 9.14 0.7 1
Histone acetyltransferase KAT7
CHEMBL3774299
Ki 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine