Compound Detail
CHEMBL5665368
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COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@@H]4C=C[C@@]1(O)C(C)=O
Basic Information
| ChEMBL ID | CHEMBL5665368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNOZGOFZPAFTSR-VCCNMJPESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.46
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 4.72 | 4.66 | 19054.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 19054.61 | nM | 4.72 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 25118.86 | nM | 4.6 | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t... | 28288109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 4 |
Data from ChEMBL 36 via Core Engine