Compound Detail
CHEMBL99204
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Basic Information
| ChEMBL ID | CHEMBL99204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFSMLUZTOHJLKX-FTBJKECHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.6
MW (Da)
5.95
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 7.88 | 7.88 | 13.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 13.1 | nM | 7.88 | Apparent binding affinity for human placental Cytochrome P450 19A1 | 7636845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636845 | 10.1021/jm00015a006 | Aromatase | 5 |
Data from ChEMBL 36 via Core Engine