Compound Detail
CHEMBL608011
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Basic Information
| ChEMBL ID | CHEMBL608011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWFOVJWROWEYMB-OMOCGIRRSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
3.47
ALogP
6
HBA
3
HBD
67.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 4.5 | 4.5 | 32000.0 | 2 |
| KB CHEMBL398 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 32000.0 | nM | 4.5 | Compound was tested for antiviral activity against Towne strain of HCMV in a pla... | 10882374 |
| HFF | IC50 | = | 32000.0 | nM | 4.5 | Compound was tested for visual cytotoxicity on HFF cells unaffected by HCMV at t... | 10882374 |
| KB | IC50 | = | 60000.0 | nM | 4.22 | Compound was tested for inhibition of KB cell growth in quadruplicate assay | 10882374 |
| Human alphaherpesvirus 1 | IC50 | = | 65000.0 | nM | 4.19 | Compound was tested for antiviral activity against HSV-1 assayed by ELISA in qua... | 10882374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882374 | 10.1021/jm990195p | HFF | 2 |
| 10882374 | 10.1021/jm990195p | Human betaherpesvirus 5 | 2 |
| 10882374 | 10.1021/jm990195p | Human alphaherpesvirus 1 | 1 |
| 10882374 | 10.1021/jm990195p | KB | 1 |
Data from ChEMBL 36 via Core Engine