Compound Detail
CHEMBL49994
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Basic Information
| ChEMBL ID | CHEMBL49994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGEZURWKWAYCLS-NTCAYCPXSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.41
ALogP
3
HBA
2
HBD
51.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 5.92 | 5.92 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | Ki | = | 1200.0 | nM | 5.92 | Antagonist activity against C-C chemokine receptor type 2 | 10969972 |
| C-C chemokine receptor type 2 | Ki | = | 1202.26 | nM | 5.92 | Antagonist activity at human CCR2 receptor | 18226895 |
| C-C chemokine receptor type 2 | Ki | = | 1200.0 | nM | 5.92 | Antagonist activity at human CCR2 receptor | 18226895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226895 | 10.1016/j.bmcl.2007.12.072 | C-C chemokine receptor type 2 | 2 |
| 10969972 | 10.1016/s0960-894x(00)00347-4 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine