Compound Detail
CHEMBL93109
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Basic Information
| ChEMBL ID | CHEMBL93109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRTJYEIMLZALBD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.85
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Ki 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.0 | 5.0 | 9950.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 9.5 | nM | 8.02 | Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-... | 12801237 |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 9950.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 17400.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | IC50 | = | 29680.0 | nM | 4.53 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801237 | 10.1021/jm030026b | No relevant target | 1 |
| 12801237 | 10.1021/jm030026b | Amyloid-beta precursor protein | 1 |
| 20637639 | 10.1016/j.bmc.2010.04.082 | Molecular identity unknown | 1 |
| 25072876 | 10.1016/j.ejmech.2014.07.092 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine