Compound Detail
CHEMBL542889
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Basic Information
| ChEMBL ID | CHEMBL542889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFSYUVKFQCKJNR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191749 |
| Active Moiety | CHEMBL1191749 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.10
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Kd 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 6.93 | 6.93 | 117.5 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 117.49 | nM | 6.93 | Evaluated for antihistamine action using guinea pig ilea | 9990449 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 820.0 | nM | 6.09 | Evaluated for inhibitory activity against RBL-1 cell 5-lipoxygenase in guinea pi... | 9990449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9990449 | 10.1016/s0960-894x(98)00676-3 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9990449 | 10.1016/s0960-894x(98)00676-3 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine