Compound Detail
CHEMBL472351
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Basic Information
| ChEMBL ID | CHEMBL472351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEQHLCSNLCBPHA-NDENLUEZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.22
ALogP
7
HBA
1
HBD
89.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 CHEMBL3638 | Ki | 5.85 | 5.85 | 1410.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 5.31 | 5.31 | 4880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 | Ki | = | 1410.0 | nM | 5.85 | Displacement of [3H]PDBu from RasGRP3 expressed in cells | 18707088 |
| Protein kinase C alpha type | Ki | = | 4880.0 | nM | 5.31 | Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichi... | 18707088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18707088 | 10.1021/jm800380b | Protein kinase C alpha type | 1 |
| 18707088 | 10.1021/jm800380b | Ras guanyl-releasing protein 3 | 1 |
| 18707088 | 10.1021/jm800380b | No relevant target | 1 |
| 18707088 | 10.1021/jm800380b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine