Compound Detail
CHEMBL64091
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Basic Information
| ChEMBL ID | CHEMBL64091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJPABNWHOUDAIW-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.2
MW (Da)
2.06
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 9.7 | nM | 8.01 | In vitro inhibition of aldose reductase activity in a partially purified bovine ... | 8027986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027986 | 10.1021/jm00039a017 | Aldo-keto reductase family 1 member B1 | 1 |
| 8027986 | 10.1021/jm00039a017 | Rattus norvegicus | 1 |
| 8027986 | 10.1021/jm00039a017 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine