Compound Detail
CHEMBL218375
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Basic Information
| ChEMBL ID | CHEMBL218375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGJRRERRFSZFTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
20
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
4.30
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 8 CHEMBL4596 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 95.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 23.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 2.0 | % | Rattus norvegicus |
| F | 10.0 | % | Canis lupus familiaris |
| T1/2 | 2.6 | hr | Rattus norvegicus |
| T1/2 | 3.7 | hr | Canis lupus familiaris |
| T1/2 | 8.2 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 8 | Ki | = | 1.6 | nM | 8.8 | Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay | 17266208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266208 | 10.1021/jm061118e | Caco-2 | 4 |
| 17266208 | 10.1021/jm061118e | Rattus norvegicus | 4 |
| 17266208 | 10.1021/jm061118e | Canis familiaris | 4 |
| 17266208 | 10.1021/jm061118e | Unchecked | 3 |
| 17266208 | 10.1021/jm061118e | D(1A) dopamine receptor | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 17266208 | 10.1021/jm061118e | 5-hydroxytryptamine receptor 2A | 1 |
| 17266208 | 10.1021/jm061118e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17266208 | 10.1021/jm061118e | Plasma | 1 |
| 17266208 | 10.1021/jm061118e | Muscarinic acetylcholine receptor | 1 |
| 17266208 | 10.1021/jm061118e | Histamine H2 receptor | 1 |
| 17266208 | 10.1021/jm061118e | Sodium-dependent dopamine transporter | 1 |
| 17266208 | 10.1021/jm061118e | D(2) dopamine receptor | 1 |
| 17266208 | 10.1021/jm061118e | 5-hydroxytryptamine receptor 1A | 1 |
| 17266208 | 10.1021/jm061118e | Cholecystokinin receptor type A | 1 |
| 17266208 | 10.1021/jm061118e | C-C chemokine receptor type 8 | 1 |
| 17266208 | 10.1021/jm061118e | Beta-2 adrenergic receptor | 1 |
| 17266208 | 10.1021/jm061118e | Beta-1 adrenergic receptor | 1 |
| 17266208 | 10.1021/jm061118e | Adrenergic receptor alpha-1 | 1 |
| 17266208 | 10.1021/jm061118e | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine