Compound Detail
CHEMBL1215362
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Basic Information
| ChEMBL ID | CHEMBL1215362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORPHPLREHJAPID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
2.54
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 39.25 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 86.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 31.0 | nM | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 6.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of PKD1 by TR-FRET assay | 20684592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684592 | 10.1021/jm100076w | Rattus norvegicus | 6 |
| 20684592 | 10.1021/jm100076w | Serine/threonine-protein kinase D1 | 2 |
Data from ChEMBL 36 via Core Engine