Compound Detail
CHEMBL433746
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Basic Information
| ChEMBL ID | CHEMBL433746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLJAUIIGTPYTIX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
6.01
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| C-C chemokine receptor type 1 CHEMBL2413 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | Ki | = | 45.0 | nM | 7.35 | Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine rece... | 10579830 |
| C-C chemokine receptor type 1 | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of MIP-1-alpha-induced intracellular calcium mobilization in HEK293 c... | 10579830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579830 | 10.1021/jm990316l | C-C chemokine receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine