Compound Detail
CHEMBL117121
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Basic Information
| ChEMBL ID | CHEMBL117121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIFPXANKFYDRSD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
4.48
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Ki 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.27 | 5.27 | 5338.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.67 | 21188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 5338.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Mitogen-activated protein kinase 10 | Ki | = | 13000.0 | nM | 4.89 | Affinity for c-Jun N-terminal kinase 3 | 15214773 |
| Unchecked | IC50 | = | 21188.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214773 | 10.1021/jm040031v | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine