Compound Detail
CHEMBL275000
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Basic Information
| ChEMBL ID | CHEMBL275000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRNMDWOVAZLMDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
1.21
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 4.44 | 4.44 | 36580.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 36580.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 38000.0 | nM | 4.42 | Compound was tested for inhibitory concentration against rat lens aldose reducta... | 3086557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3086557 | 10.1021/jm00156a031 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine