Compound Detail
CHEMBL1940137
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Basic Information
| ChEMBL ID | CHEMBL1940137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNVRMVFZWARUCY-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
2.29
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.6
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 570.0 | nM | 6.24 | Inhibition of mTOR | 22197143 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 2511.89 | nM | 5.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of PI3Kalpha | 22197143 |
| Tyrosine-protein kinase JAK3 | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| BDNF/NT-3 growth factors receptor | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22197143 | 10.1016/j.bmcl.2011.12.001 | Serine/threonine-protein kinase mTOR | 1 |
| 22197143 | 10.1016/j.bmcl.2011.12.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 22197143 | 10.1016/j.bmcl.2011.12.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine