Compound Detail
CHEMBL2205804
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Basic Information
| ChEMBL ID | CHEMBL2205804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRORSVNZQWCZTD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.91
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 7.1 | 7.1 | 79.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 79.43 | nM | 7.1 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
| No relevant target | IC50 | = | 80.0 | nM | 7.1 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 5 | 5 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 1 | 4 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 8 | 2 |
| 22957890 | 10.1021/jm301121j | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine