Compound Detail
CHEMBL3797946
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CNCC(=O)N1CCC2(CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3797946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUBUTCLCAAJHEI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3800702 |
| Active Moiety | CHEMBL3800702 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.4
MW (Da)
3.43
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | Ki | = | 125.89 | nM | 6.9 | 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