Compound Detail
CHEMBL3982497
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Basic Information
| ChEMBL ID | CHEMBL3982497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCFSCBCNTYCQQD-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.78
ALogP
7
HBA
4
HBD
138.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
EC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 9.7 | 9.67 | 0.2 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.13 | nM | 9.89 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 0.2 | nM | 9.7 | Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C theta type | IC50 | = | 0.23 | nM | 9.64 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Unchecked | EC50 | = | 11.0 | nM | 7.96 | Antiproliferative activity against human 92-1 cells incubated for 72 hrs by micr... | 38198520 |
| Glycogen synthase kinase-3 beta | IC50 | = | 19.0 | nM | 7.72 | Inhibition of GSK3beta (unknown origin) | 38198520 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of FLT3 (unknown origin) | 38198520 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 780.0 | nM | 6.11 | Agonist activity at 5HT2B (unknown origin) | 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 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Glycogen synthase kinase-3 beta | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine