Compound Detail
CHEMBL61828
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Basic Information
| ChEMBL ID | CHEMBL61828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAQMZXXSQMJODK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.61
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 8.52 | 8.1533 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 3.0 | nM | 8.52 | Antagonistic activity against human C-C chemokine receptor type 5. | 15055994 |
| C-C chemokine receptor type 5 | IC50 | = | 7.4 | nM | 8.13 | Antagonistic activity against monkey C-C chemokine receptor type 5. | 15055994 |
| C-C chemokine receptor type 5 | IC50 | = | 15.5 | nM | 7.81 | Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C ... | 15055994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055994 | 10.1021/jm031046g | C-C chemokine receptor type 5 | 3 |
Data from ChEMBL 36 via Core Engine