Compound Detail
CHEMBL4172635
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4172635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWSUDJQTTGDPIR-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
6
PK Parameters
14
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
2.73
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 4 CHEMBL5410 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 8.6 | 7.575 | 2.5 | 4 |
| C-C chemokine receptor type 4 CHEMBL4295899 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.7 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 100.0 | % | Rattus norvegicus |
| F | 100.0 | % | Canis lupus familiaris |
| T1/2 | 2.5 | hr | Rattus norvegicus |
| T1/2 | 0.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Antagonist activity at rat CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 1.0 | nM | 9.0 | Antagonist activity at mouse CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 2.512 | nM | 8.6 | Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 3.162 | nM | 8.5 | Antagonist activity at dog CCR4 | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 3.981 | nM | 8.4 | Antagonist activity at human CCR4 expressed in HEK cells coexpressing CD4+ asses... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 158.49 | nM | 6.8 | Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ as... | 28947948 |
| C-C chemokine receptor type 4 | IC50 | = | 316.23 | nM | 6.5 | Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ as... | 28947948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 4 | 7 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | Rattus norvegicus | 4 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | Canis familiaris | 4 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | No relevant target | 3 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | ADMET | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | Hepatocyte | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | Unchecked | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-X-C chemokine receptor type 1 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-X-C chemokine receptor type 2 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 1 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 2 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 5 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 7 | 1 |
| 28947948 | 10.1021/acsmedchemlett.7b00315 | C-C chemokine receptor type 8 | 1 |
Data from ChEMBL 36 via Core Engine