Compound Detail
CHEMBL6036322
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C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CF)CC[C@@H]43)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2n1
Basic Information
| ChEMBL ID | CHEMBL6036322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBRZZUHOTAEXMT-AECCJQPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
4.97
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 75.0 | nM | 7.12 | Steroid Inhibition of TBPS Binding: TBPS binding assays using rat brain cortical... | - |
Data from ChEMBL 36 via Core Engine