Compound Detail
CHEMBL530110
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Basic Information
| ChEMBL ID | CHEMBL530110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REQFZZLUXMZZNX-WOJGMQOQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.39
ALogP
6
HBA
1
HBD
85.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 CHEMBL3638 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 | Ki | = | 0.2 | nM | 9.7 | Displacement of [3H]PDBu from RasGRP3 expressed in cells | 18707088 |
| Protein kinase C alpha type | Ki | = | 4.6 | nM | 8.34 | 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 |
Data from ChEMBL 36 via Core Engine