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

CHEMBL372627

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
COC(=O)c1cccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)c1

Basic Information

ChEMBL ID CHEMBL372627
Phase Preclinical
Structure Type MOL
InChI Key HNPSKFJZKVFBQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.00
ALogP
7
HBA
0
HBD
78.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO6
MW 395.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA-dependent protein kinase catalytic subunit
CHEMBL3142
IC50 6.08 6.08 840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16302822 10.1021/jm050444b DNA-dependent protein kinase catalytic subunit 1

Data from ChEMBL 36 via Core Engine