Compound Detail
CHEMBL571377
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C[C@@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL571377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LENKUUPXOOPDDB-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.4
MW (Da)
6.80
ALogP
5
HBA
1
HBD
51.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 3 CHEMBL4441 | Ki | 7.07 | 7.07 | 86.0 | 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 | = | 86.0 | nM | 7.07 | 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