Compound Detail
CHEMBL3604479
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Basic Information
| ChEMBL ID | CHEMBL3604479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFIUTQSPBKARBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.0
MW (Da)
4.96
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 9 CHEMBL5815 | IC50 | 5.5 | 5.5 | 3163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 9 | IC50 | = | 3163.0 | nM | 5.5 | Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of ... | 26117562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26117562 | 10.1016/j.bmcl.2015.06.046 | C-C chemokine receptor type 9 | 1 |
Data from ChEMBL 36 via Core Engine