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Compound Detail

CHEMBL230647

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Nc1ncnc2nc(-c3ccc(O)c(O)c3)cnc12

Basic Information

ChEMBL ID CHEMBL230647
Phase Preclinical
Structure Type MOL
InChI Key XBUHCGAFDXGUFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

255.2
MW (Da)
1.08
ALogP
7
HBA
3
HBD
118.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9N5O2
MW 255.24
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 5.29 5.29 5100.0 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