Compound Detail
CHEMBL5864267
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C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(C(F)F)CC[C@@H]43)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5864267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKDNMNYXNGZQKN-ATDMNIQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
5.27
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
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