Compound Detail
CHEMBL1688878
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Basic Information
| ChEMBL ID | CHEMBL1688878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNSIXTRSQGXGNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.7
MW (Da)
3.03
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 1600.0 | nM | 5.8 | Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-i... | 21341682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341682 | 10.1021/jm1012903 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine