Compound Detail
CHEMBL3355068
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Basic Information
| ChEMBL ID | CHEMBL3355068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNVUNKFUFFIJJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.18
ALogP
6
HBA
1
HBD
91.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 7.58 | 7.58 | 26.0 | 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 | = | 9.0 | nM | 8.05 | Inhibition of PI3Kalpha (unknown origin) | 25589927 |
| Serine/threonine-protein kinase ATR | IC50 | = | 26.0 | nM | 7.58 | Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphasc... | 25589927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589927 | 10.1021/ml500353p | Serine/threonine-protein kinase ATR | 1 |
| 25589927 | 10.1021/ml500353p | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine