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Compound Detail

CHEMBL5750027

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Nc1nc2cc(-c3nc4c(F)c(N5CCC[C@H]5C(=O)F)cc5c4n3CCCCO5)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5750027
Phase Preclinical
Structure Type MOL
InChI Key JAHOJPSUZUWFCI-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
4.20
ALogP
8
HBA
1
HBD
99.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F2N5O3
MW 453.45
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.70

Activity Summary

Ki 1 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

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Ki = 0.024 nM 10.62 p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... -

Data from ChEMBL 36 via Core Engine