Compound Detail
CHEMBL394859
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Basic Information
| ChEMBL ID | CHEMBL394859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMEJJNBJNRNRJQ-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
3.34
ALogP
7
HBA
2
HBD
86.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 4 | IC50 | = | 80.0 | nM | 7.1 | Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells | 17098428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17098428 | 10.1016/j.bmcl.2006.10.091 | C-C chemokine receptor type 4 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine