Compound Detail
CHEMBL3957715
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Basic Information
| ChEMBL ID | CHEMBL3957715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBMUEOYWGJZICW-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.18
ALogP
8
HBA
4
HBD
151.7
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 1 meas. best 6.16
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 | 9.22 | 9.195 | 0.6 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.16 | 6.16 | 700.0 | 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 | = | 0.6 | nM | 9.22 | Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C theta type | IC50 | = | 0.67 | nM | 9.17 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of FLT3 (unknown origin) | 38198520 |
| Glycogen synthase kinase-3 beta | IC50 | = | 41.0 | nM | 7.39 | Inhibition of GSK3beta (unknown origin) | 38198520 |
| Unchecked | EC50 | = | 700.0 | nM | 6.16 | 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 | 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