Compound Detail
CHEMBL5687053
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Basic Information
| ChEMBL ID | CHEMBL5687053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OINGHOPGNMYCAB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.9
MW (Da)
5.06
ALogP
4
HBA
2
HBD
60.0
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Kd 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase PAK 2 CHEMBL4487 | Kd | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of PAK1 (unknown origin) | 25415869 |
| Serine/threonine-protein kinase PAK 2 | Kd | = | 400.0 | nM | 6.4 | Binding affinity to PAK2 (unknown origin) assessed as dissociation constant | 25415869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase N1 | 1 |
| 25415869 | 10.1021/jm501613q | No relevant target | 1 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase PAK 2 | 1 |
Data from ChEMBL 36 via Core Engine