Compound Detail
CHEMBL198213
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL198213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJXGOZMPLSPCFU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
479.7
MW (Da)
7.43
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3056 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1200.0 | nM | 5.92 | Androgen antagonistic activity as inhibitory concentration against testosterone-... | 16019211 |
| Bovine viral diarrhea virus 1 | EC50 | = | 8900.0 | nM | 5.05 | Antiviral activity against BVDV1 Nose infected in MDBK cells assessed as inhibit... | 19447037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Androgen receptor | 2 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Vitamin D3 receptor | 1 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Unchecked | 1 |
| 19447037 | 10.1016/j.bmcl.2009.04.137 | Bovine viral diarrhea virus 1 | 1 |
| 19447037 | 10.1016/j.bmcl.2009.04.137 | ADMET | 1 |
| 19447037 | 10.1016/j.bmcl.2009.04.137 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine