Compound Detail
CHEMBL137552
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Basic Information
| ChEMBL ID | CHEMBL137552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGSFCLGZKJSIPP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.2
MW (Da)
4.73
ALogP
3
HBA
1
HBD
33.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL3859 | EC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | EC50 | = | 9.6 | nM | 8.02 | In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization... | 2296032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296032 | 10.1021/jm00163a065 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine