Compound Detail
CHEMBL455162
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Basic Information
| ChEMBL ID | CHEMBL455162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTWNDZFUOLVRMB-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
4.65
ALogP
2
HBA
1
HBD
52.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | IC50 | = | 270.0 | nM | 6.57 | Displacement of [125I]MIP-1-alpha from human recombinant CCR1 expressed in HEK29... | 19183043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19183043 | 10.1021/jm801416q | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine