Compound Detail
CHEMBL4466610
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Basic Information
| ChEMBL ID | CHEMBL4466610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSDAHSHHKKHOKE-AWEZNQCLSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.43
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 7.3 | 7.012 | 50.0 | 5 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 5.76 | 5.04 | 1720.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27486833 | 10.1021/acs.jmedchem.6b00160 | Aldo-keto reductase family 1 member C2 | 3 |
| 27486833 | 10.1021/acs.jmedchem.6b00160 | Unchecked | 2 |
| 27486833 | 10.1021/acs.jmedchem.6b00160 | Aldo-keto reductase family 1 member C3 | 1 |
| 27486833 | 10.1021/acs.jmedchem.6b00160 | Prostaglandin G/H synthase 1 | 1 |
| 27486833 | 10.1021/acs.jmedchem.6b00160 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine