Compound Detail
CHEMBL5969212
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Basic Information
| ChEMBL ID | CHEMBL5969212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMFIMTJNSGCVCV-GRYCIOLGSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.33
ALogP
7
HBA
1
HBD
84.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.6 | 6.6 | 250.0 | 2 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 125.0 | nM | 6.9 | In Vitro JAK Kinase Assay: Compounds herein were tested for inhibitory activity ... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 250.0 | nM | 6.6 | PI3Kdelta Scintillation Proximity Assay: [γ-33P]ATP (10 mCi/mL) was purchased fr... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 250.0 | nM | 6.6 | PI3Kdelta Scintillation Proximity Assay: [γ-33P]ATP (10 mCi/mL) was purchased fr... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 300.0 | nM | 6.52 | TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 300.0 | nM | 6.52 | TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... | - |
Data from ChEMBL 36 via Core Engine