Compound Detail
CHEMBL6064382
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CC(=O)NCc1nc2c(-c3ncc[nH]3)cc(N3CCOCC3)nn2c1Cc1cccc(C(F)(F)F)c1C
Basic Information
| ChEMBL ID | CHEMBL6064382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTRKQSSBSHFKEY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
3.51
ALogP
7
HBA
2
HBD
100.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Kd | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | Kd | = | 2.0 | nM | 8.7 | KINOMEscan Enzyme Binding Assays: Kinase enzyme binding affinities of compounds ... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Kd | = | 59.0 | nM | 7.23 | KINOMEscan Enzyme Binding Assays: Kinase enzyme binding affinities of compounds ... | - |
Data from ChEMBL 36 via Core Engine