Compound Detail
CHEMBL144278
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Basic Information
| ChEMBL ID | CHEMBL144278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZLQHXCRRMUGQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
3.17
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Aldo-keto reductase family 1 member C1 CHEMBL5905 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 4.33 | 4.33 | 47100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 300.0 | nM | 6.52 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
| Aldo-keto reductase family 1 member C1 | IC50 | = | 6200.0 | nM | 5.21 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
| Aldo-keto reductase family 1 member C2 | IC50 | = | 47100.0 | nM | 4.33 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523407 | 10.1021/jm00025a011 | Rattus norvegicus | 2 |
| 30189396 | 10.1016/j.ejmech.2018.08.069 | Androgen receptor | 2 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Cytochrome P450 | 2 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 21073191 | 10.1021/jm101206p | BDNF/NT-3 growth factors receptor | 1 |
| 30189396 | 10.1016/j.ejmech.2018.08.069 | DU-145 | 1 |
| 30189396 | 10.1016/j.ejmech.2018.08.069 | PC-3 | 1 |
| 30189396 | 10.1016/j.ejmech.2018.08.069 | LNCaP | 1 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine