Compound Detail
CHEMBL487483
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL487483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCXYCCAYSVRIQM-LFIBNONCSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.07
ALogP
7
HBA
1
HBD
89.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 CHEMBL3638 | Ki | 7.62 | 7.095 | 23.8 | 2 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 6.48 | 6.48 | 328.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 5.99 | 5.91 | 1020.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 | Ki | = | 23.8 | nM | 7.62 | Displacement of [3H]PDBu from RasGRP3 expressed in cells | 18707088 |
| Ras guanyl-releasing protein 3 | Ki | = | 271.0 | nM | 6.57 | Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in ... | 29860841 |
| Protein kinase C epsilon type | Ki | = | 328.0 | nM | 6.48 | Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed... | 29860841 |
| Protein kinase C alpha type | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichi... | 18707088 |
| Protein kinase C alpha type | Ki | = | 1480.0 | nM | 5.83 | Displacement of [3H]PDBu from full length recombinant human PKCalpha expressed i... | 29860841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29860841 | 10.1021/acs.jmedchem.8b00661 | Unchecked | 2 |
| 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 |
| 29860841 | 10.1021/acs.jmedchem.8b00661 | Protein kinase C alpha type | 1 |
| 29860841 | 10.1021/acs.jmedchem.8b00661 | Protein kinase C epsilon type | 1 |
| 29860841 | 10.1021/acs.jmedchem.8b00661 | Ras guanyl-releasing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine