Compound Detail
CHEMBL5779496
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COc1ccc2nn(CC(=O)[C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@@](O)(CF)CC[C@@H]6[C@H]5CC[C@]34C)nc2c1
Basic Information
| ChEMBL ID | CHEMBL5779496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJAHLSZJVXUDSS-AINROVSSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.98
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Steroid Inhibition of TBPS Binding: TBPS binding assays using rat brain cortical... | - |
Data from ChEMBL 36 via Core Engine