Compound Detail
CHEMBL3946659
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 | CHEMBL3946659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUKUYCBPKLCSMU-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
2.54
ALogP
9
HBA
3
HBD
145.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
EC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.7 | 9.61 | 0.2 | 2 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.7 | 8.68 | 2.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.37 | 7.37 | 43.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.2 | nM | 9.7 | Inhibition of PKCalpha (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C alpha type | IC50 | = | 0.3 | nM | 9.52 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C theta type | IC50 | = | 2.2 | nM | 8.66 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 43.0 | nM | 7.37 | Agonist activity at 5HT2B (unknown origin) | 38198520 |
| Unchecked | EC50 | = | 153.0 | nM | 6.82 | Antiproliferative activity against human 92-1 cells incubated for 72 hrs by micr... | 38198520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Protein kinase C alpha type | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Protein kinase C theta type | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Unchecked | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | 5-hydroxytryptamine receptor 2B | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine