Compound Detail
CHEMBL75245
TIOPINAC 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL75245 |
| Name | TIOPINAC |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KLIVRBFRQSOGQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
284.3
MW (Da)
3.15
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition of rabbit lens aldose reductase. | 3097317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097317 | 10.1021/jm00161a033 | Aldo-keto reductase family 1 member B1 | 4 |
| 309946 | 10.1021/jm00208a007 | Rattus norvegicus | 3 |
| 309946 | 10.1021/jm00208a007 | Canis familiaris | 2 |
| 3097317 | 10.1021/jm00161a033 | Rattus norvegicus | 1 |
| 3097317 | 10.1021/jm00161a033 | Mus musculus | 1 |
| 309946 | 10.1021/jm00208a007 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine