Compound Detail
CHEMBL463770
AKENDO 3 Enter ChEMBL ID:
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C=C1C(=O)C(O)=C[C@@H]2[C@]3(C)CC[C@](C)(C(=O)CO)C[C@@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL463770 |
| Name | AKENDO 3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUBVLRJKVTZJLO-IRYBIPSUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.36
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine