Compound Detail
CHEMBL258205
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL258205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHCRDIRRQYOJIL-SOFGYWHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.5
MW (Da)
5.97
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 2 | IC50 | = | 0.2 | nM | 9.7 | Binding affinity at human CCR2 receptor | 18487045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18487045 | 10.1016/j.bmcl.2008.05.010 | C-C chemokine receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine