Compound Detail
CHEMBL2402021
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Basic Information
| ChEMBL ID | CHEMBL2402021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUMGVUQENVZUPA-CYGHRXIMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
-0.09
ALogP
8
HBA
4
HBD
119.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bovine viral diarrhea virus 1 CHEMBL612571 | EC50 | 6.4 | 6.4 | 400.0 | 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 |
|---|---|---|---|---|---|---|---|
| Tacaribe virus | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against Tacaribe virus infected in human Huh7.5 cells assesse... | 23747225 |
| Bovine viral diarrhea virus 1 | EC50 | = | 400.0 | nM | 6.4 | 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 | 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