Compound Detail
CHEMBL1972820
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Basic Information
| ChEMBL ID | CHEMBL1972820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOSOUQLGXHXQDR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
1.89
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | Ki | 4.11 | 4.11 | 78420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 251.19 | nM | 6.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Homeodomain-interacting protein kinase 4 | Ki | = | 6309.57 | nM | 5.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Sodium channel protein type 2 subunit alpha | Ki | = | 78420.0 | nM | 4.11 | Binding affinity to Nav 1.2 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0256-y | Mus musculus | 2 |
| - | 10.1007/s00044-012-0256-y | Sodium channel protein type 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine