Compound Detail
CHEMBL5789334
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Cc1cnc2c(Cl)cccc2c1-n1c(C)nc2c(-c3nnc[nH]3)cc(-c3ccnc(N)c3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5789334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKARYMCPPVBCBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
5.41
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 3.0 | nM | 8.52 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
Data from ChEMBL 36 via Core Engine