Compound Detail
CHEMBL4747849
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Basic Information
| ChEMBL ID | CHEMBL4747849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYMWKXAUTSHQSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.68
ALogP
4
HBA
3
HBD
84.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of recombinant human aromatase incubated for 30 mins using fluorometr... | 26704594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26704594 | 10.1021/acs.jmedchem.5b01677 | Aromatase | 1 |
| 26704594 | 10.1021/acs.jmedchem.5b01677 | Estrogen receptor | 1 |
| 26704594 | 10.1021/acs.jmedchem.5b01677 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine