Compound Detail
CHEMBL2402014
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CC(C)(C)S(=O)(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL2402014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWLSNJYOFAOMGC-PLACYPQZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
464.7
MW (Da)
1.07
ALogP
7
HBA
4
HBD
121.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| Tacaribe virus CHEMBL613131 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 | EC50 | = | 310.0 | nM | 6.51 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 23747225 |
| Unchecked | EC50 | = | 310.0 | nM | 6.51 | BVDV antiviral and plaque assays: To evaluate antiviral activity against BVDV, a... | - |
| Tacaribe virus | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against Tacaribe virus infected in human Huh7.5 cells assesse... | 23747225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23747225 | 10.1016/j.bmcl.2013.04.052 | ADMET | 2 |
| 23747225 | 10.1016/j.bmcl.2013.04.052 | Liver microsomes | 2 |
| 23747225 | 10.1016/j.bmcl.2013.04.052 | Tacaribe virus | 1 |
| 23747225 | 10.1016/j.bmcl.2013.04.052 | Bovine viral diarrhea virus 1 | 1 |
| 23747225 | 10.1016/j.bmcl.2013.04.052 | Liver | 1 |
Data from ChEMBL 36 via Core Engine