Compound Detail
CHEMBL1782329
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CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(N(CC(=O)C(C)(C)C)Cc2ccccc2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1782329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOOYGDYYGFADAP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
569.8
MW (Da)
9.03
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 28000.0 | nM | 4.55 | Antiviral activity against BVDV1 Nose infected in MDBK cells assessed as inhibit... | 19447037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447037 | 10.1016/j.bmcl.2009.04.137 | Bovine viral diarrhea virus 1 | 1 |
| 19447037 | 10.1016/j.bmcl.2009.04.137 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine