Compound Detail
CHEMBL490324
TENULIN Enter ChEMBL ID:
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C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@@H](OC3(C)O)[C@]2(C)C(=O)C=C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL490324 |
| Name | TENULIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNIULSUYTFOEHN-MEBIVNBJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
1.44
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of COX2 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 845864 | 10.1021/jm00213a003 | Ehrlich | 13 |
| 845864 | 10.1021/jm00213a003 | Unchecked | 5 |
| 18271521 | 10.1021/jm701318x | Platelet | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1021/np50005a002 | KB | 1 |
| 845864 | 10.1021/jm00213a003 | W256 | 1 |
| 845864 | 10.1021/jm00213a003 | P388 | 1 |
| 845864 | 10.1021/jm00213a003 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine