Compound Detail
CHEMBL3659971
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Basic Information
| ChEMBL ID | CHEMBL3659971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHZVIFNUNXWEFW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.29
ALogP
5
HBA
3
HBD
98.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 6.7 | 6.63 | 200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of PDK1 (unknown origin) after 1 hr in presence of Ser/Thr-07 by fluo... | 29150397 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 229.0 | nM | 6.64 | Binding Assay: The secondary assay was a time resolved-FRET LanthaScreen Kinase ... | - |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 283.0 | nM | 6.55 | Activity Assay: The primary assay for compound inhibitory activity was the ATP d... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29150397 | 10.1016/j.bmcl.2017.10.041 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine