Compound Detail
CHEMBL3986947
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C[C@H](NC(=O)c1c(N)ncc2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3986947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUHFRROHHCYSJN-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
5.27
ALogP
5
HBA
2
HBD
90.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.52 | 5.52 | 3000.0 | 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 delta isoform | IC50 | = | 2000.0 | nM | 5.7 | PI3-Kinase HTRF Assay: A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased f... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 3000.0 | nM | 5.52 | PI3-Kinase HTRF Assay: A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660692 | 10.1021/acsmedchemlett.6b00238 | PI3-kinase p110-delta/p85-alpha | 1 |
| 27660692 | 10.1021/acsmedchemlett.6b00238 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine