Compound Detail
CHEMBL48547
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Basic Information
| ChEMBL ID | CHEMBL48547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSAXBVWSFHOETD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
0.83
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HFF CHEMBL614071 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| KB CHEMBL398 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Human Cytomegalovirus (HCMV) replication in a plaque ... | 8632411 |
| HFF | IC50 | = | 2100.0 | nM | 5.68 | In vitro inhibition of human cytomegalovirus in HFF cells by plaque reduction as... | - |
| Human alphaherpesvirus 1 | IC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against HSV-1 replication was evaluated by ELISA | 8632411 |
| KB | IC50 | = | 19000.0 | nM | 4.72 | Cytotoxic activity tested against exponentially growing KB cells, determined by ... | 8632411 |
| L1210 | IC50 | = | 38000.0 | nM | 4.42 | Inhibitory concentration required to decrease the growth rate of L1210 cells to ... | 8632411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632411 | 10.1021/jm950444j | L1210 | 2 |
| 8632411 | 10.1021/jm950444j | Human betaherpesvirus 5 | 1 |
| 8632411 | 10.1021/jm950444j | Human alphaherpesvirus 1 | 1 |
| 8632411 | 10.1021/jm950444j | KB | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | HFF | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80470-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine