Compound Detail
CHEMBL571815
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CN(CCN(C)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL571815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEKOXQMHQMJFTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.4
MW (Da)
6.66
ALogP
5
HBA
1
HBD
51.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 3 CHEMBL4441 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 3 | Ki | = | 23000.0 | nM | 4.64 | Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/... | 19647429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19647429 | 10.1016/j.bmcl.2009.07.020 | C-X-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine