Compound Detail
CHEMBL5194906
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Basic Information
| ChEMBL ID | CHEMBL5194906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRUODYWGISXWRR-DOMZBBRYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
1.74
ALogP
7
HBA
1
HBD
102.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 9.25 | 9.25 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 59.0 | % | Rattus norvegicus |
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 | Ki | = | 0.56 | nM | 9.25 | Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS as substrate in presence... | 36455032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36455032 | 10.1021/acs.jmedchem.2c01422 | ADMET | 3 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | No relevant target | 2 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 36455032 | 10.1021/acs.jmedchem.2c01422 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine