Compound Detail
CHEMBL5801484
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NC(=O)[C@@H]1CCCN1c1cc2c3c(c1)nc(-c1ccc(-c4nc[nH]n4)c(Cl)c1)n3CCCO2
Basic Information
| ChEMBL ID | CHEMBL5801484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEORIXQGQHQPQZ-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.9
MW (Da)
3.38
ALogP
7
HBA
2
HBD
115.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 9.58 | 9.58 | 0.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.58 | 9.58 | 0.3 | 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 | = | 0.261 | nM | 9.58 | p110alpha (alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter... | - |
| Unchecked | Ki | = | 0.261 | nM | 9.58 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine