Compound Detail
CHEMBL1093149
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Basic Information
| ChEMBL ID | CHEMBL1093149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVLHHLRVNDMIAR-LJQANCHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.58
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 108.0 | nM | 6.97 | Cytotoxicity against human MT4 cells expressing CD4 and CXCR4 assessed as cell v... | 20297846 |
| Human immunodeficiency virus 1 | IC50 | = | 144.0 | nM | 6.84 | Antiviral activity against HIV1 NL4.3 infected in human MT4 cells expressing CD4... | 20297846 |
| C-X-C chemokine receptor type 4 | IC50 | = | 206.0 | nM | 6.69 | Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid s... | 20297846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20297846 | 10.1021/jm100073m | Human immunodeficiency virus 1 | 1 |
| 20297846 | 10.1021/jm100073m | MT4 | 1 |
| 20297846 | 10.1021/jm100073m | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine