Compound Detail
CHEMBL30286
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Basic Information
| ChEMBL ID | CHEMBL30286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVCLNACSYKYUHP-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
-0.39
ALogP
7
HBA
3
HBD
112.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.06 | 5.01 | 8800.0 | 2 |
| HFF CHEMBL614071 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 8800.0 | nM | 5.06 | Antiviral activity against Human Cytomegalovirus (HCMV) replication in a plaque ... | 8632411 |
| HFF | IC50 | = | 8800.0 | nM | 5.06 | In vitro inhibition of human cytomegalovirus in HFF cells by plaque reduction as... | - |
| Human betaherpesvirus 5 | IC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Human cytomegalovirus in a plaque-reduction assay | 2500527 |
| Human alphaherpesvirus 1 | IC50 | = | 21000.0 | nM | 4.68 | Antiviral activity against HSV-1 replication was evaluated by ELISA | 8632411 |
| Homo sapiens | IC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against Normal human diploid cells (human foreskin fibroblasts cell... | 2500527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2500527 | 10.1021/jm00127a003 | ADMET | 2 |
| 8632411 | 10.1021/jm950444j | Human betaherpesvirus 5 | 1 |
| 8632411 | 10.1021/jm950444j | Human alphaherpesvirus 1 | 1 |
| 8632411 | 10.1021/jm950444j | HFF | 1 |
| 8632411 | 10.1021/jm950444j | KB | 1 |
| 2500527 | 10.1021/jm00127a003 | Human betaherpesvirus 5 | 1 |
| 2500527 | 10.1021/jm00127a003 | Human alphaherpesvirus 1 | 1 |
| 2500527 | 10.1021/jm00127a003 | Homo sapiens | 1 |
| 2500527 | 10.1021/jm00127a003 | L1210 | 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