Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2205770

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1nc2cc(-c3cncc(S(=O)(=O)NCc4ccccc4)c3)ccn2n1

Basic Information

ChEMBL ID CHEMBL2205770
Phase Preclinical
Structure Type MOL
InChI Key AGOVQMAPVNSPIZ-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
1.85
ALogP
7
HBA
2
HBD
115.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N6O2S
MW 380.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.71

Activity Summary

IC50 4 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22726925 10.1016/j.bmcl.2012.05.090 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
22726925 10.1016/j.bmcl.2012.05.090 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
22726925 10.1016/j.bmcl.2012.05.090 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
22726925 10.1016/j.bmcl.2012.05.090 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1

Data from ChEMBL 36 via Core Engine