Compound Detail
CHEMBL289431
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Basic Information
| ChEMBL ID | CHEMBL289431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDALGRHRPPTQPM-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
0.67
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 4.0 | 4.0 | 100000.0 | 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 | = | 100000.0 | nM | 4.0 | Inhibition of partially purified calf lens aldose reductase; value ranges from 1... | 3121857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3121857 | 10.1021/jm00396a037 | Rattus norvegicus | 2 |
| 9046351 | 10.1021/jm960692v | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 19346132 | 10.1016/j.bmc.2008.10.031 | Unchecked | 2 |
| 31303998 | 10.1039/C9MD00200F | L6 | 1 |
| 3121857 | 10.1021/jm00396a037 | Aldo-keto reductase family 1 member B1 | 1 |
| 31303998 | 10.1039/C9MD00200F | Trypanosoma cruzi | 1 |
| 31303998 | 10.1039/C9MD00200F | Trypanosoma brucei | 1 |
| 31303998 | 10.1039/C9MD00200F | Huh-5-2 | 1 |
| 31303998 | 10.1039/C9MD00200F | Hepatitis C virus | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| 24332655 | 10.1016/j.bmc.2013.11.049 | Unchecked | 1 |
| 19346132 | 10.1016/j.bmc.2008.10.031 | No relevant target | 1 |
| 9046351 | 10.1021/jm960692v | No relevant target | 1 |
| 10229624 | 10.1021/jm980556l | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
Data from ChEMBL 36 via Core Engine