Compound Detail
CHEMBL211106
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C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL211106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFRGQOJVDATPMM-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
8.18
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 1070.0 | nM | 5.97 | Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cells | 16884289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16884289 | 10.1021/jm060439n | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine