Compound Detail
CHEMBL491089
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Basic Information
| ChEMBL ID | CHEMBL491089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGOLGQNTCHMSDA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
5.14
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2860 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptad... | 19097798 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of 5LOX in bovine polymorphonuclear leucocytes assessed as leukotrien... | 19097798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097798 | 10.1016/j.bmc.2008.11.074 | NON-PROTEIN TARGET | 2 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 1 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine