Compound Detail
CHEMBL32457
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Basic Information
| ChEMBL ID | CHEMBL32457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXIBYIHJONGOIE-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.33
ALogP
6
HBA
2
HBD
67.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.01
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.01 | 5.7167 | 980.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.8 | 5.51 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 980.0 | nM | 6.01 | Inhibitory activity against HIV-1 (HTLV-IIIB strain) replication in MT-4 cells | 2016715 |
| NON-PROTEIN TARGET | EC50 | = | 980.0 | nM | 6.01 | Concentration required to achieve 50% protection of MT-4 cells against the cytop... | 1732552 |
| Human immunodeficiency virus 1 | IC50 | = | 1600.0 | nM | 5.8 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| Human immunodeficiency virus 1 | EC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against HIV-1 (HTLV-IIIRF strain) replication in MT-4 cells | 2016715 |
| Human immunodeficiency virus 1 | EC50 | = | 2900.0 | nM | 5.54 | Inhibitory activity against HIV-1 (HTLV-IIIB strain) replication in peripheral b... | 2016715 |
| Human immunodeficiency virus 1 | IC50 | = | 6010.0 | nM | 5.22 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016715 | 10.1021/jm00108a023 | Human immunodeficiency virus 1 | 5 |
| 2016715 | 10.1021/jm00108a023 | Human immunodeficiency virus 2 | 2 |
| 1732552 | 10.1021/jm00080a020 | NON-PROTEIN TARGET | 1 |
| 1732552 | 10.1021/jm00080a020 | MT4 | 1 |
| 1732552 | 10.1021/jm00080a020 | Unchecked | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine