Compound Detail
CHEMBL3644704
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Cc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL3644704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEIHPFBOCFEJJZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
4.14
ALogP
7
HBA
1
HBD
94.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 8.7 | 8.7 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Kinase Assay: Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal... | - |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Kinase Assay: Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal... | - |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 2.0 | nM | 8.7 | Kinase Assay: Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal... | - |
Data from ChEMBL 36 via Core Engine