Compound Detail
CHEMBL3132871
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Basic Information
| ChEMBL ID | CHEMBL3132871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHOXBXUSTPRGNX-NWDGAFQWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.14
ALogP
8
HBA
1
HBD
108.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.19 | 4.855 | 6485.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 6485.0 | nM | 5.19 | Antiviral activity against wild type HIV-1 isolate infected in human PBMC cells ... | - |
| Human immunodeficiency virus 1 | IC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against HIV-1 HTLV-3B infected in human PBMC cells assessed a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00003J | Human immunodeficiency virus 1 | 4 |
| - | 10.1039/C4MD00003J | Unchecked | 1 |
| - | 10.1039/C4MD00003J | PBMC | 1 |
Data from ChEMBL 36 via Core Engine