Compound Detail
CHEMBL1215078
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Basic Information
| ChEMBL ID | CHEMBL1215078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJHWVSYYFZRUEK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
3.17
ALogP
6
HBA
2
HBD
76.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
EC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Serine/threonine-protein kinase D1 CHEMBL3863 | EC50 | 7.18 | 7.18 | 66.0 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of PKD1 by TR-FRET assay | 20684592 |
| Serine/threonine-protein kinase D1 | EC50 | = | 66.0 | nM | 7.18 | Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export | 20684592 |
| Serine/threonine-protein kinase D2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of PKD2 by TR-FRET assay | 20684592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684592 | 10.1021/jm100076w | Serine/threonine-protein kinase D1 | 2 |
| 20684592 | 10.1021/jm100076w | Serine/threonine-protein kinase D2 | 1 |
| 20684592 | 10.1021/jm100076w | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine