Compound Detail
CHEMBL5831232
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CC[C@H](C(N)=O)n1cc(-c2cc3c4c(c2)nc(-c2ccc5nc(N)sc5n2)n4CCCCO3)cn1
Basic Information
| ChEMBL ID | CHEMBL5831232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUHRUVRFMAVOHR-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.76
ALogP
10
HBA
2
HBD
139.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 10.21 | 10.21 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 10.21 | 10.21 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Ki | = | 0.061 | nM | 10.21 | p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... | - |
| Unchecked | Ki | = | 0.061 | nM | 10.21 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine