Compound Detail
CHEMBL4560668
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C[C@@H]1CN(c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3C[C@H]4C[C@@H]3CO4)n2)C[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL4560668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRFUBVAPBKCZQB-YVECIDJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
2.13
ALogP
9
HBA
1
HBD
102.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9530.0 | nM | 5.02 | Inhibition of PI3K p110alpha/p85 (unknown origin) using PIP2/ATP as substrate af... | 27427973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27427973 | 10.1021/acs.jmedchem.6b00235 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine