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Compound Detail

CHEMBL1162956

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Nc1ncnc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc12

Basic Information

ChEMBL ID CHEMBL1162956
Phase Preclinical
Structure Type MOL
InChI Key IZXPMKCEKYRZFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
2.16
ALogP
9
HBA
5
HBD
158.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13N5O4
MW 363.33
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.01 6.01 968.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17685602 10.1021/jm051056c Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine