Compound Detail
CHEMBL108030
UNDECANOATE 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL108030 |
| Name | UNDECANOATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ZDPHROOEEOARMN-UHFFFAOYSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
7
Known Names
Molecular Properties
186.3
MW (Da)
3.60
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 4 meas. best 5.8
IC50 2 meas.
Ki 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 6.97 | 6.97 | 108.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 5.8 | 5.335 | 1600.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | Ki | = | 108.0 | nM | 6.97 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 4360.0 | nM | 5.36 | Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-e... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 7700.0 | nM | 5.11 | Agonist activity at human GPR84 expressed in CHO cells assessed as reduction in ... | 33267584 |
| G-protein coupled receptor 84 | EC50 | = | 8600.0 | nM | 5.07 | Agonist activity at human GPR84 expressed in CHO cell membranes assessed as indu... | 33267584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 5 |
| 20055406 | 10.1021/jf902575f | Bursaphelenchus xylophilus | 4 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 33267584 | 10.1021/acs.jmedchem.0c01378 | G-protein coupled receptor 84 | 2 |
| 6887198 | 10.1021/jm00363a006 | Bacillus subtilis | 1 |
| 20565070 | 10.1021/np1000945 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine