Compound Detail
CHEMBL327846
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Basic Information
| ChEMBL ID | CHEMBL327846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGHMTSVQIAJUTD-WUFINQPMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
5.42
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.17 | 7.17 | 67.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 67.0 | nM | 7.17 | Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [1... | 11591514 |
| C-C chemokine receptor type 5 | IC50 | = | 67.0 | nM | 7.17 | Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type ... | 11720860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591514 | 10.1016/s0960-894x(01)00545-5 | C-C chemokine receptor type 5 | 1 |
| 11720860 | 10.1016/s0960-894x(01)00652-7 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine