Compound Detail
CHEMBL5826240
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Cn1c(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5826240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDSDFLHDUCVXBO-BFDNQYNMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.70
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Steroid Inhibition of TBPS Binding: TBPS binding assays using rat brain cortical... | - |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Steroid Inhibition of TBPS Binding: TBPS binding assays using rat brain cortical... | - |
Data from ChEMBL 36 via Core Engine