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Compound Detail

CHEMBL5867381

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C[C@H](Oc1cc2c3c(c1)nc(-c1ccc4nc(N)nnc4c1)n3CCCCO2)C(N)=O

Basic Information

ChEMBL ID CHEMBL5867381
Phase Preclinical
Structure Type MOL
InChI Key IWTPWLVQNOYAOH-NSHDSACASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
2.05
ALogP
9
HBA
2
HBD
144.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N7O3
MW 419.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.91

Activity Summary

Ki 2 meas. best 10.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
Ki 10.62 10.62 0.0 1
Unchecked
CHEMBL612545
Ki 10.62 10.62 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine