Compound Detail
CHEMBL76504
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Basic Information
| ChEMBL ID | CHEMBL76504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWZXPPWSUVZXQY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
1.99
ALogP
6
HBA
4
HBD
72.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| C-X-C chemokine receptor type 4 CHEMBL2107 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 107.0 | nM | 6.97 | In vitro antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15084128 |
| C-X-C chemokine receptor type 4 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of CXCR4 receptor (unknown origin) | 38879970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084128 | 10.1021/jm031024u | L6 | 2 |
| 15084128 | 10.1021/jm031024u | Trypanosoma brucei rhodesiense | 1 |
| 38879970 | 10.1016/j.ejmech.2024.116594 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine