Compound Detail
CHEMBL5182936
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Basic Information
| ChEMBL ID | CHEMBL5182936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUMWRYOMDFANOB-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.25
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 7.82 | 6.685 | 15.0 | 2 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 7.0 | nM | 8.15 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay d... | 35104640 |
| Serine/threonine-protein kinase N2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay | 35104640 |
| Serine/threonine-protein kinase N1 | Ki | = | 60.0 | nM | 7.22 | Inhibition of PKN1 (unknown origin) by TR-FRET-based tracer displacement assay d... | 35104640 |
| Serine/threonine-protein kinase N1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of PKN1 (unknown origin) by TR-FRET-based tracer displacement assay | 35104640 |
| Serine/threonine-protein kinase N2 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of NanoLuc-PKN2 (ser646-cys984)(unknown origin) expressed in HEK293 c... | 35104640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35104640 | 10.1016/j.bmcl.2022.128588 | Serine/threonine-protein kinase N2 | 3 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | Serine/threonine-protein kinase N1 | 2 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | Unchecked | 1 |
| 35104640 | 10.1016/j.bmcl.2022.128588 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine