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Compound Detail

CHEMBL6034108

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C[C@H](Oc1cc2c3c(c1)nc(-c1cc(F)c4oc(N)nc4c1)n3CCCO2)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6034108
Phase Preclinical
Structure Type MOL
InChI Key GOTYQZYGAFOLGZ-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
2.60
ALogP
8
HBA
2
HBD
131.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FN5O4
MW 411.39
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.87

Activity Summary

Ki 1 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
 Ki 10.05 10.05 0.1 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 = 0.09 nM 10.05 p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... -

Data from ChEMBL 36 via Core Engine