Compound Detail
CHEMBL5993540
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Cc1nc2c(-c3nnc[nH]3)cc(-c3ccnc(C#N)c3)cc2n1-c1ccnc2cc(F)cc(F)c12
Basic Information
| ChEMBL ID | CHEMBL5993540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEOYWSOFNOZNPV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
4.88
ALogP
7
HBA
1
HBD
109.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 8.52 | 8.0867 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 3.0 | nM | 8.52 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 6.0 | nM | 8.22 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 30.0 | nM | 7.52 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
Data from ChEMBL 36 via Core Engine