Compound Detail
CHEMBL3814804
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Basic Information
| ChEMBL ID | CHEMBL3814804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHZQDTCLKCVWKV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
4.73
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 9 CHEMBL5815 | IC50 | 8.82 | 7.045 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 9 | IC50 | = | 1.5 | nM | 8.82 | Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stim... | 27256913 |
| C-C chemokine receptor type 9 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 ... | 27256913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27256913 | 10.1016/j.bmcl.2016.05.043 | C-C chemokine receptor type 9 | 2 |
Data from ChEMBL 36 via Core Engine