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Compound Detail

CHEMBL5795361

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NC(=O)[C@@H](Nc1cc2c3c(c1)nc(-c1ccc4oc(N)nc4c1)n3CCCO2)C1CC1

Basic Information

ChEMBL ID CHEMBL5795361
Phase Preclinical
Structure Type MOL
InChI Key AZQKZDZFWPOAHM-SFHVURJKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.89
ALogP
8
HBA
3
HBD
134.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N6O3
MW 418.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.93

Activity Summary

Ki 2 meas. best 10.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
Ki 10.12 10.12 0.1 1
Unchecked
CHEMBL612545
Ki 10.12 10.12 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine