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Compound Detail

CHEMBL493296

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c1cc2nc(-c3ccc4cn[nH]c4c3)nc(N3CCOCC3)c2s1

Basic Information

ChEMBL ID CHEMBL493296
Phase Preclinical
Structure Type MOL
InChI Key UXVQKIONVNQABP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.07
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.61
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 C17H15N5OS
MW 337.41
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.46

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
IC50 5.61 5.61 2450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18754654 10.1021/jm800295d Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
18754654 10.1021/jm800295d NON-PROTEIN TARGET 1
18754654 10.1021/jm800295d A2780 1

Data from ChEMBL 36 via Core Engine