Compound Detail
CHEMBL3696112
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Basic Information
| ChEMBL ID | CHEMBL3696112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTRGLWNADYYYAR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
4.80
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 4.0 | nM | 8.4 | SPA Assay: The assays were performed in U-bottom 384-well optiplates. The final ... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 4.0 | nM | 8.4 | SPA Assay: The assays were performed in U-bottom 384-well optiplates. The final ... | - |
Data from ChEMBL 36 via Core Engine