Compound Detail
CHEMBL243937
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Basic Information
| ChEMBL ID | CHEMBL243937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSZGSKABPZYZBS-KVTPGWOSSA-N |
| Parent Compound | CHEMBL243283 |
| Active Moiety | CHEMBL243283 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
5.69
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as e... | 18422306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17696417 | 10.1021/jm0701831 | Blood | 2 |
| 17696417 | 10.1021/jm0701831 | Heart | 2 |
| 17696417 | 10.1021/jm0701831 | Lung | 2 |
| 17696417 | 10.1021/jm0701831 | Liver | 2 |
| 17696417 | 10.1021/jm0701831 | Spleen | 2 |
| 17696417 | 10.1021/jm0701831 | Kidney | 2 |
| 17696417 | 10.1021/jm0701831 | Femur | 2 |
| 17696417 | 10.1021/jm0701831 | Muscle | 2 |
| 17696417 | 10.1021/jm0701831 | Brain | 2 |
| 18422306 | 10.1021/jm701443n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine