Compound Detail
CHEMBL4175333
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Basic Information
| ChEMBL ID | CHEMBL4175333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XELZELDAOXMYOD-JYRVWZFOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.55
ALogP
6
HBA
1
HBD
72.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 CHEMBL3638 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 7.9 | 7.9 | 12.5 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras guanyl-releasing protein 3 | Ki | = | 4.26 | nM | 8.37 | Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in ... | 29860841 |
| Protein kinase C epsilon type | Ki | = | 12.5 | nM | 7.9 | Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed... | 29860841 |
| Protein kinase C alpha type | Ki | = | 37.0 | nM | 7.43 | 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 |
| 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