Compound Detail
CHEMBL4169247
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Basic Information
| ChEMBL ID | CHEMBL4169247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLSMVCMSUNISFK-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
6
PK Parameters
16
Publications
0
Known Names
Molecular Properties
334.2
MW (Da)
2.59
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 7.8 | 6.975 | 15.8 | 4 |
| C-C chemokine receptor type 4 CHEMBL4295899 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 100.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| T1/2 | 1.7 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at rat CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at mouse CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 15.85 | nM | 7.8 | Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 25.12 | nM | 7.6 | Antagonist activity at dog CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 31.62 | nM | 7.5 | Antagonist activity at human CCR4 expressed in CHO cells coexpressing CD4+ asses... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ as... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ as... | 28947948 |
Literature References
Data from ChEMBL 36 via Core Engine