Compound Detail
CHEMBL291653
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Basic Information
| ChEMBL ID | CHEMBL291653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSOIMMLNZUTECO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
0.21
ALogP
8
HBA
4
HBD
112.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.62 | 4.39 | 24000.0 | 3 |
| L1210 CHEMBL386 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| Human betaherpesvirus 5 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| Human betaherpesvirus 5 | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of human cytomegalovirus (HCMV) in plaque reduction assay | 2163454 |
| L1210 | IC50 | = | 75000.0 | nM | 4.12 | In vitro inhibition of L1210 cell growth to half of the control rate | 2163454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163454 | 10.1021/jm00169a028 | Human betaherpesvirus 5 | 3 |
| 2163454 | 10.1021/jm00169a028 | L1210 | 2 |
| 2163454 | 10.1021/jm00169a028 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine