Compound Detail
CHEMBL536070
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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Cl)cn12.Cl
Basic Information
| ChEMBL ID | CHEMBL536070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWJPIVFXQPPLMG-MYHMWQFYSA-N |
| Parent Compound | CHEMBL1188329 |
| Active Moiety | CHEMBL1188329 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.8
MW (Da)
2.86
ALogP
7
HBA
0
HBD
110.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2498 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| A-375 CHEMBL613859 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 0.77 | nM | 9.11 | Inhibition of GST-tagged bovine p110-alpha expressed in SF9/Baculovirus system b... | 17601739 |
| A-375 | IC50 | = | 56.0 | nM | 7.25 | Inhibition of serum-induced proliferation of human A375 cells | 17601739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17601739 | 10.1016/j.bmc.2007.05.070 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 17601739 | 10.1016/j.bmc.2007.05.070 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine