Compound Detail
CHEMBL3289011
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Basic Information
| ChEMBL ID | CHEMBL3289011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDBJOZVQHUZKJJ-CPNJWEJPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.00
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAS guanyl-releasing protein 1 CHEMBL5953 | Ki | 8.81 | 8.81 | 1.6 | 1 |
| Ras guanyl-releasing protein 3 CHEMBL3638 | Ki | 8.79 | 8.79 | 1.6 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 7.84 | 7.84 | 14.6 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.75 | 7.75 | 17.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAS guanyl-releasing protein 1 | Ki | = | 1.55 | nM | 8.81 | Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) aft... | 24794745 |
| Ras guanyl-releasing protein 3 | Ki | = | 1.63 | nM | 8.79 | Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in ... | 24794745 |
| Protein kinase C epsilon type | Ki | = | 14.6 | nM | 7.84 | Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scin... | 24794745 |
| Protein kinase C alpha type | Ki | = | 17.8 | nM | 7.75 | Displacement of [3H]PDBu from recombinant human PKC-alpha after 5 mins by scinti... | 24794745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24794745 | 10.1016/j.bmc.2014.04.024 | Ras guanyl-releasing protein 3 | 5 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Unchecked | 5 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Protein kinase C delta type | 4 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Protein kinase C alpha type | 2 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Protein kinase C epsilon type | 2 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | RAS guanyl-releasing protein 1 | 1 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Protein kinase C (PKC) | 1 |
| 24794745 | 10.1016/j.bmc.2014.04.024 | Lipid bilayer | 1 |
Data from ChEMBL 36 via Core Engine