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

CHEMBL5769900

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
NC(=O)[C@H](Oc1cc2c3c(c1)nc(-c1ccc4oc(N)nc4c1)n3CCCCO2)C1CC1

Basic Information

ChEMBL ID CHEMBL5769900
Phase Preclinical
Structure Type MOL
InChI Key KARNFNKYAUYDJJ-HXUWFJFHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
3.24
ALogP
8
HBA
2
HBD
131.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O4
MW 433.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.44

Activity Summary

Ki 2 meas. best 9.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
Ki 9.98 9.98 0.1 1
Unchecked
CHEMBL612545
Ki 9.98 9.98 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine