Compound Detail
CHEMBL1401860
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Basic Information
| ChEMBL ID | CHEMBL1401860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZCBPVYEETWLEX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
4.46
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 7.27 | 6.655 | 54.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADPH oxidase 1 | IC50 | = | 54.0 | nM | 7.27 | PUBCHEM_BIOASSAY: Luminescence-based cell-based dose response assay to identify ... | - |
| NADPH oxidase 1 | IC50 | = | 915.3 | nM | 6.04 | PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay t... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine