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Compound Detail

CHEMBL5964364

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Cc1cccc(Cc2c(C)nc3c(C(=O)O)cc(N4CCOCC4)nn23)c1C

Basic Information

ChEMBL ID CHEMBL5964364
Phase Preclinical
Structure Type MOL
InChI Key KJFZIUZDYNNQKR-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.78
ALogP
6
HBA
1
HBD
80.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O3
MW 380.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

Activity Summary

Kd 4 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
Kd 7.16 7.16 69.0 1
Unchecked
CHEMBL612545
Kd 5.97 5.97 1072.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
Kd 5.21 5.21 6166.0 1
Serine/threonine-protein kinase mTOR
CHEMBL2842
Kd 5.03 5.03 9333.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine