Compound Detail
CHEMBL4517318
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Basic Information
| ChEMBL ID | CHEMBL4517318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGUHPTGEXRHMQQ-BGJMDTOESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.06
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.89 | 4.89 | 13001.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 0.15 | nM | 9.82 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
| Aromatase | IC50 | = | 13001.7 | nM | 4.89 | Inhibition of aromatase in human placental microsomes using [1beta-3H]AD as subs... | 33017749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33017749 | 10.1016/j.ejmech.2020.112845 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine