Compound Detail
CHEMBL1644073
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Basic Information
| ChEMBL ID | CHEMBL1644073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAJZBHXGPRNRPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
3.96
ALogP
5
HBA
3
HBD
96.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.0 | nM | 8.7 | Antiviral activity against X4 tropic HIV1 NL4.3 infected in human MT4 cells expr... | 21109432 |
| C-X-C chemokine receptor type 4 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as ... | 21109432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21109432 | 10.1016/j.bmcl.2010.11.023 | Human immunodeficiency virus 1 | 1 |
| 21109432 | 10.1016/j.bmcl.2010.11.023 | MT4 | 1 |
| 21109432 | 10.1016/j.bmcl.2010.11.023 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine