Compound Detail
CHEMBL50289
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Basic Information
| ChEMBL ID | CHEMBL50289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTWSMKSMHFVEII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
0.72
ALogP
8
HBA
1
HBD
107.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 10000.0 | nM | 5.0 | Compound was tested to inhibit HIV-1 replication in MT-4 cell lines; value may r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00316-2 | MT4 | 2 |
| - | 10.1016/0960-894X(96)00316-2 | Anas sp. | 2 |
Data from ChEMBL 36 via Core Engine