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Compound Detail

CHEMBL5760366

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C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1

Basic Information

ChEMBL ID CHEMBL5760366
Phase Preclinical
Structure Type MOL
InChI Key SOEXLYQOUKHYQH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.42
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4O
MW 340.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
CHEMBL3964
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine