Compound Detail
CHEMBL443380
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Basic Information
| ChEMBL ID | CHEMBL443380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKUIOHPBVGRKEA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.2
MW (Da)
4.40
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.33 | 5.305 | 4670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4670.0 | nM | 5.33 | Antiviral activity against HIV1 3B replication in human CEM cells assessed as in... | 18242784 |
| Human immunodeficiency virus 1 | EC50 | = | 5210.0 | nM | 5.28 | Antiviral activity against HIV1 3B replication in human MT4 cells assessed as in... | 18242784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Human immunodeficiency virus 1 | 2 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Unchecked | 2 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Human immunodeficiency virus 2 | 2 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | MT4 | 1 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18242784 | 10.1016/j.ejmech.2007.12.015 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine