Compound Detail
CHEMBL1917100
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Basic Information
| ChEMBL ID | CHEMBL1917100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKWRDUJVZQZRNO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.53
ALogP
5
HBA
0
HBD
98.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 350.0 | nM | 6.46 | Inhibition of recombinant human 5-LOX in human PBML assessed as inhibition of A2... | 21958737 |
| Prostaglandin G/H synthase 2 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as convers... | 21958737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958737 | 10.1016/j.bmc.2011.09.003 | Prostaglandin G/H synthase 2 | 1 |
| 21958737 | 10.1016/j.bmc.2011.09.003 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine