Compound Detail
CHEMBL127499
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Basic Information
| ChEMBL ID | CHEMBL127499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VREZPJZIWGZIEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.02
ALogP
8
HBA
1
HBD
93.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 37000.0 | nM | 4.43 | In vitro antiviral activity against HIV-1 IIIB in C8166 (human CD4) cells. | 11020296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020296 | 10.1021/jm9903390 | Human immunodeficiency virus 1 | 4 |
| 11020296 | 10.1021/jm9903390 | C8166 | 1 |
Data from ChEMBL 36 via Core Engine