Compound Detail
CHEMBL34226
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Basic Information
| ChEMBL ID | CHEMBL34226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSBQWSHGCMDNMD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
5.09
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.67
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 6.29 | 6.29 | 510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 510.0 | nM | 6.29 | Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors. | 11311066 |
| C-C chemokine receptor type 1 | IC50 | = | 510.0 | nM | 6.29 | Inhibition of human CCR1 transfected in CHO cells incubated for 1 hr in presence... | 33310284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311066 | 10.1021/jm0004244 | C-C chemokine receptor type 1 | 2 |
| 33310284 | 10.1016/j.ejmech.2020.113085 | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine