Compound Detail
CHEMBL508054
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Basic Information
| ChEMBL ID | CHEMBL508054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCVDTZFSFHPHAJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.7
MW (Da)
5.37
ALogP
5
HBA
1
HBD
40.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 8.51 | 8.055 | 3.1 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | IC50 | = | 3.1 | nM | 8.51 | Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced ca... | 19053768 |
| C-X-C chemokine receptor type 4 | IC50 | = | 25.0 | nM | 7.6 | Displacement of [125I]CXCL12 from CXCR4 in human CEM cells | 19053768 |
| Human immunodeficiency virus 1 | IC50 | = | 50.0 | nM | 7.3 | Antiviral activity against X4-tropic HIV1 3B assessed as inhibition of viral att... | 19053768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053768 | 10.1021/jm801065q | C-X-C chemokine receptor type 4 | 2 |
| 19053768 | 10.1021/jm801065q | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine