Compound Detail
CHEMBL122399
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Basic Information
| ChEMBL ID | CHEMBL122399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLECVCUUYSNNAI-NTSWFWBYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.2
MW (Da)
-0.73
ALogP
8
HBA
2
HBD
108.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 6200.0 | nM | 5.21 | Antiviral activity was evaluated in mitogen-stimulated human peripheral blood mo... | 8421287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8421287 | 10.1021/jm00053a004 | ADMET | 2 |
| 8421287 | 10.1021/jm00053a004 | Vero | 1 |
| 8421287 | 10.1021/jm00053a004 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine