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Compound Detail

CHEMBL6039600

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NCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6039600
Phase Preclinical
Structure Type MOL
InChI Key WZEBTZCBBOOVPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
1.13
ALogP
9
HBA
2
HBD
118.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F3N7O3
MW 467.45
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 3-kinase regulatory subunit alpha
CHEMBL2506
 IC50 9.08 9.08 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 3-kinase regulatory subunit alpha IC50 = 0.84 nM 9.08 Biological Assay for PI3K alpha: An in vitro assay which determines the ability ... -

Data from ChEMBL 36 via Core Engine