Compound Detail
CHEMBL1333737
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Basic Information
| ChEMBL ID | CHEMBL1333737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIAOTAFSXSSCRY-CMDGGOBGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
3.27
ALogP
7
HBA
0
HBD
108.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.47 | 5.47 | 3420.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.4 | 5.4 | 4020.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.98 | 4.98 | 10415.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3420.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4020.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Type-1 angiotensin II receptor | IC50 | = | 10415.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 13000.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine