Compound Detail
CHEMBL3799904
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O=C([C@@H]1CCCN1)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL3799904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCBVISPGBVZJDX-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
3.97
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 100.0 | nM | 7.0 | Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell me... | 26991939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26991939 | 10.1016/j.ejmech.2016.02.058 | C-C chemokine receptor type 4 | 2 |
| 26991939 | 10.1016/j.ejmech.2016.02.058 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine