Compound Detail
CHEMBL71297
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O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL71297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCLJZDLFPSSHBN-XLRBXMIISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
7.04
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 6.2 | 6.195 | 631.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | Ki | = | 631.0 | nM | 6.2 | Antagonist activity at human CCR2 receptor | 18226895 |
| C-C chemokine receptor type 2 | Ki | = | 645.65 | nM | 6.19 | 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 |
| 11514164 | 10.1016/s0960-894x(01)00397-3 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine