Compound Detail
CHEMBL1449627
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Basic Information
| ChEMBL ID | CHEMBL1449627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNTMXQAGHQBNOD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.81
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.88
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.88 | 6.88 | 131.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 131.0 | nM | 6.88 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 390.0 | nM | 6.41 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine