Compound Detail
CHEMBL438729
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Basic Information
| ChEMBL ID | CHEMBL438729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIAMHHWLPXPIRL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.57
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.33 | 4.33 | 47300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 28000.0 | nM | 4.55 | Inhibition of human P-gp mediated [3H]vinblastine transport activity in human Ca... | 18276145 |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 47300.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18276145 | 10.1016/j.bmc.2008.01.055 | Caco-2 | 3 |
| 18276145 | 10.1016/j.bmc.2008.01.055 | Unchecked | 1 |
| 18276145 | 10.1016/j.bmc.2008.01.055 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine