Compound Detail
CHEMBL1643090
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Basic Information
| ChEMBL ID | CHEMBL1643090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSYXOIMGVZOGHZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
4.99
ALogP
4
HBA
1
HBD
62.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 10.92 | 8.59 | 0.0 | 3 |
| ADMET CHEMBL612558 | EC50 | 10.6 | 10.6 | 0.0 | 1 |
| C8166 CHEMBL614533 | EC50 | 7.16 | 7.16 | 69.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.012 | nM | 10.92 | Antiviral activity against HIV1 3B infected in human C8166 cells | 31401538 |
| ADMET | EC50 | = | 0.025 | nM | 10.6 | Cytotoxicity against human C1866 cells after 72 hrs by MTT assay | 21194939 |
| Human immunodeficiency virus 1 | EC50 | = | 31.0 | nM | 7.51 | Antiviral activity against HIV1 3B infected in human PBMC assessed as protection... | 21194939 |
| Human immunodeficiency virus 1 | EC50 | = | 46.0 | nM | 7.34 | Antiviral activity against HIV1 3B infected in human A17 cells assessed as prote... | 21194939 |
| C8166 | EC50 | = | 69.81 | nM | 7.16 | Cytotoxicity against human C8166 cells assessed as reduction in cell viability | 31401538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21194939 | 10.1016/j.bmcl.2010.12.003 | Human immunodeficiency virus 1 | 3 |
| 21194939 | 10.1016/j.bmcl.2010.12.003 | ADMET | 1 |
| 21194939 | 10.1016/j.bmcl.2010.12.003 | Unchecked | 1 |
| 31401538 | 10.1016/j.ejmech.2019.111566 | Human immunodeficiency virus 1 | 1 |
| 31401538 | 10.1016/j.ejmech.2019.111566 | C8166 | 1 |
| 31401538 | 10.1016/j.ejmech.2019.111566 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine