Compound Detail
CHEMBL1466340
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Basic Information
| ChEMBL ID | CHEMBL1466340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZRAUEOTKUVXJS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
221.7
MW (Da)
3.15
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.11
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.11 | 5.75 | 780.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.03 | 5.03 | 9270.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.6 | 4.6 | 25100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 780.0 | nM | 6.11 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 4050.0 | nM | 5.39 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 9270.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | EC50 | = | 15700.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 25100.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine