Compound Detail
CHEMBL1203762
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Basic Information
| ChEMBL ID | CHEMBL1203762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIYDZMWXHANGSQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL162585 |
| Active Moiety | CHEMBL162585 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
2.29
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibition of cytochrome P450 19A1 | 1825337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1825337 | 10.1021/jm00106a038 | Aromatase | 4 |
Data from ChEMBL 36 via Core Engine