Compound Detail
CHEMBL2205147
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Basic Information
| ChEMBL ID | CHEMBL2205147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAIPCZDMNHSRRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
3.89
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eosinophil CHEMBL614636 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3568.0 | hr.kg.ng/ml/mg | Rattus norvegicus |
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1187.88 | nM | Rattus norvegicus |
| F | 28.0 | % | Rattus norvegicus |
| T1/2 | 4.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eosinophil | IC50 | = | 4.0 | nM | 8.4 | Inhibition of eosinophil shape change in human whole blood after 10 mins by flow... | 22651823 |
| Prostaglandin D2 receptor 2 | IC50 | = | 16.0 | nM | 7.8 | Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-... | 22651823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22651823 | 10.1021/jm300007n | Rattus norvegicus | 6 |
| 22651823 | 10.1021/jm300007n | Unchecked | 2 |
| 22651823 | 10.1021/jm300007n | Mus musculus | 1 |
| 22651823 | 10.1021/jm300007n | Plasma | 1 |
| 22651823 | 10.1021/jm300007n | Eosinophil | 1 |
| 22651823 | 10.1021/jm300007n | Prostaglandin D2 receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine