Compound Detail
CHEMBL311377
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Basic Information
| ChEMBL ID | CHEMBL311377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJWKGTQPLVXLDV-JHOLWCCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.6
MW (Da)
2.59
ALogP
5
HBA
2
HBD
67.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HFF CHEMBL614071 | IC50 | 5.03 | 4.715 | 9400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HFF | IC50 | = | 9400.0 | nM | 5.03 | Compound was tested for antiviral activity against human cytomegalovirus (HCMV) ... | 10882375 |
| HFF | IC50 | = | 40000.0 | nM | 4.4 | Compound was tested for visual cytotoxicity on human foreskin fibroblasts (HFF) ... | 10882375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882375 | 10.1021/jm990219s | HFF | 3 |
| 10882375 | 10.1021/jm990219s | Human alphaherpesvirus 1 | 1 |
| 10882375 | 10.1021/jm990219s | ADMET | 1 |
Data from ChEMBL 36 via Core Engine