Compound Detail
CHEMBL5778567
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Nc1nccc(-c2cc(-c3nnc[nH]3)c3nc(CC4CC4)n(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F
Basic Information
| ChEMBL ID | CHEMBL5778567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRXBKYJKIHWMD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
5.37
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 7.0 | nM | 8.15 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
Data from ChEMBL 36 via Core Engine