Compound Detail
CHEMBL5566264
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Basic Information
| ChEMBL ID | CHEMBL5566264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEFPSHIDVWKVSO-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
2.59
ALogP
9
HBA
3
HBD
145.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.4
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.4 | nM | 9.4 | Inhibition of PKCalpha (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C theta type | IC50 | = | 1.3 | nM | 8.89 | Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of FLT3 (unknown origin) | 38198520 |
| Unchecked | EC50 | = | 230.0 | nM | 6.64 | Antiproliferative activity against human 92-1 cells incubated for 72 hrs by micr... | 38198520 |
| Glycogen synthase kinase-3 beta | IC50 | = | 530.0 | nM | 6.28 | Inhibition of GSK3beta (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 |
Data from ChEMBL 36 via Core Engine