Compound Detail
CHEMBL141713
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Basic Information
| ChEMBL ID | CHEMBL141713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFRLOIAKURWWBT-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.27
ALogP
4
HBA
1
HBD
56.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
IC50 1 meas. best 4.14
Ki 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 1 CHEMBL2413 | Ki | 6.46 | 6.46 | 347.0 | 1 |
| G-protein coupled receptor homolog US28 CHEMBL4259 | EC50 | 4.54 | 4.54 | 28800.0 | 1 |
| G-protein coupled receptor homolog US28 CHEMBL4259 | IC50 | 4.14 | 4.14 | 72400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 1 | Ki | = | 347.0 | nM | 6.46 | Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine rece... | 10579830 |
| G-protein coupled receptor homolog US28 | EC50 | = | 28800.0 | nM | 4.54 | Effective concentration against US28-mediated inositol phosphate production in C... | 16190772 |
| G-protein coupled receptor homolog US28 | IC50 | = | 72400.0 | nM | 4.14 | Inhibitory concentration against chemokine receptor US28 expressed in COS-7 cell... | 16190772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190772 | 10.1021/jm050418d | G-protein coupled receptor homolog US28 | 2 |
| 10579830 | 10.1021/jm990316l | C-C chemokine receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine