Compound Detail
CHEMBL3823622
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O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1ncc[nH]1
Basic Information
| ChEMBL ID | CHEMBL3823622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJJQSVYIXFVOTA-DERLZNSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.6
MW (Da)
4.50
ALogP
6
HBA
4
HBD
138.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 5.82 | 5.82 | 1520.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 1520.0 | nM | 5.82 | Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay | 27123901 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 1520.0 | nM | 5.82 | Inhibitory Activity Assay: Factor IX is a key component of the plasma system tha... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27123901 | 10.1016/j.ejmech.2016.04.003 | 3-phosphoinositide-dependent protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine