Compound Detail
CHEMBL5409207
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Cc1cc([C@@H](C)Nc2nccnc2C(=O)O)c2nc(N3CCC(F)(F)CC3)c(C#N)c(=O)n2c1
Basic Information
| ChEMBL ID | CHEMBL5409207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZEZRQSYVRLTOY-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
2.77
ALogP
9
HBA
2
HBD
136.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase AKT CHEMBL2111353 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.43 | 5.43 | 3725.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase AKT | IC50 | = | 144.0 | nM | 6.84 | Inhibition of AKT phosphorylation in human T47D cells harboring PI3Kalpha H1047R... | 38477582 |
| T47D | IC50 | = | 3725.0 | nM | 5.43 | Cytotoxicity against human T47D cells harboring PI3Kalpha H1047R mutant assessed... | 38477582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38477582 | 10.1021/acs.jmedchem.4c00078 | Serine/threonine-protein kinase AKT | 1 |
| 38477582 | 10.1021/acs.jmedchem.4c00078 | T47D | 1 |
Data from ChEMBL 36 via Core Engine