Compound Detail
CHEMBL5896145
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NC(=O)c1cc(-c2ccnc(N)c2F)cc2c1nc(C1CC1)n2-c1ccnc2c(Cl)ccc(F)c12
Basic Information
| ChEMBL ID | CHEMBL5896145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQGYYJVVRFKDES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.9
MW (Da)
5.13
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 6.0 | nM | 8.22 | TR-FRET Assay: Class I PI3K isoforms were expressed and purified as heterodimeri... | - |
Data from ChEMBL 36 via Core Engine