Compound Detail
CHEMBL1230209
TIGEMOCOXIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1230209 |
| Name | TIGEMOCOXIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QGCKNIAMHUUUDI-LBPRGKRZSA-N |
2
Targets
2
Activities
1
Assay Types
13
PK Parameters
6
Publications
2
Known Names
1
Indications
Molecular Properties
334.7
MW (Da)
4.43
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Inflammation
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42223.26 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 31271.92 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 24356178.3 | nM | Rattus norvegicus |
| Cmax | 111098828.87 | nM | Rattus norvegicus |
| F | 67.5 | % | Rattus norvegicus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 18.0 | hr | Canis lupus familiaris |
| T1/2 | 34.0 | hr | Homo sapiens |
| T1/2 | 6.68 | hr | Rattus norvegicus |
| T1/2 | 5.78 | hr | Rattus norvegicus |
| Tmax | 0.75 | hr | Rattus norvegicus |
| Vd | 2.314 | L.kg-1 | Rattus norvegicus |
| Vd | 1.353 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of human COX2 | 20709553 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of human COX1 | 20709553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25313331 | 10.1021/ml500299q | Rattus norvegicus | 12 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Rattus norvegicus | 6 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Prostaglandin G/H synthase 1 | 1 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Prostaglandin G/H synthase 2 | 1 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Canis familiaris | 1 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine