Compound Detail
CHEMBL5998780
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Cc1nc2c(-c3nnc[nH]3)cc(-c3ccnc(F)c3)cc2n1-c1ccnc2c(F)ccc(F)c12
Basic Information
| ChEMBL ID | CHEMBL5998780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJOAYKKQHYSFQD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
5.15
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 8.7 | 7.8 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 2.0 | nM | 8.7 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 5.0 | nM | 8.3 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 400.0 | nM | 6.4 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
Data from ChEMBL 36 via Core Engine