Compound Detail
CHEMBL2402015
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CC(C)OP(=O)(OC(C)C)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL2402015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLOWKRPZLIFQOV-UEQSERJNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
2.90
ALogP
8
HBA
4
HBD
122.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tacaribe virus CHEMBL613131 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tacaribe virus | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Tacaribe virus infected in human Huh7.5 cells assesse... | 23747225 |
| Bovine viral diarrhea virus 1 | EC50 | = | 3400.0 | nM | 5.47 | Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... | 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 | Tacaribe virus | 1 |
| 23747225 | 10.1016/j.bmcl.2013.04.052 | Bovine viral diarrhea virus 1 | 1 |
Data from ChEMBL 36 via Core Engine