Compound Detail
CHEMBL379376
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Basic Information
| ChEMBL ID | CHEMBL379376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYWWLYCGNNCLKE-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
2.62
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
Ki 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 5.42 | 5.42 | 3850.0 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | IC50 | 5.11 | 5.11 | 7710.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | Ki | 4.65 | 4.65 | 22360.0 | 1 |
| Serine/threonine-protein kinase N1 CHEMBL3384 | IC50 | 4.34 | 4.34 | 45540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 3850.0 | nM | 5.42 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N2 | IC50 | = | 7710.0 | nM | 5.11 | Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | Ki | = | 22360.0 | nM | 4.65 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
| Serine/threonine-protein kinase N1 | IC50 | = | 45540.0 | nM | 4.34 | Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay | 32085971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16784847 | 10.1016/j.bmcl.2006.05.082 | Rattus norvegicus | 3 |
| 926119 | 10.1021/jm00219a016 | No relevant target | 2 |
| 32085971 | 10.1016/j.bmcl.2020.127040 | Serine/threonine-protein kinase N2 | 2 |
| 32085971 | 10.1016/j.bmcl.2020.127040 | Serine/threonine-protein kinase N1 | 2 |
| - | 10.1248/cpb.30.2996 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-012-0375-5 | Leishmania major | 1 |
| 926119 | 10.1021/jm00219a016 | Xanthine dehydrogenase/oxidase | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine