Compound Detail
CHEMBL1976682
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Basic Information
| ChEMBL ID | CHEMBL1976682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGDBWGQSYCEWHT-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.1
MW (Da)
4.57
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
EC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 6.5 | 6.49 | 316.2 | 2 |
| C-C chemokine receptor type 1 CHEMBL2413 | EC50 | 4.82 | 4.81 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 316.23 | nM | 6.5 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
| No relevant target | IC50 | = | 330.0 | nM | 6.48 | Binding affinity to Zn(II) after 2 hrs using FluoZin-3 by fuorescence assay | 22957890 |
| C-C chemokine receptor type 1 | EC50 | = | 15000.0 | nM | 4.82 | Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chime... | 22957890 |
| C-C chemokine receptor type 1 | EC50 | = | 15848.93 | nM | 4.8 | Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chime... | 22957890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 1 | 6 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 5 | 5 |
| 22957890 | 10.1021/jm301121j | C-C chemokine receptor type 8 | 2 |
| 22957890 | 10.1021/jm301121j | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine