Compound Detail
CHEMBL1941126
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Basic Information
| ChEMBL ID | CHEMBL1941126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSAWWZIJDSCHNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.90
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Chemoattractant receptor-homologous molecule expressed on Th2 cells CHEMBL1075058 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1020.0 | ng.hr.mL-1 | Cavia porcellus |
| Cmax | 1038.23 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells aft... | 22178554 |
| Chemoattractant receptor-homologous molecule expressed on Th2 cells | IC50 | = | 99.0 | nM | 7.0 | Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cell... | 22178554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22178554 | 10.1016/j.bmcl.2011.11.079 | Cavia porcellus | 2 |
| 22178554 | 10.1016/j.bmcl.2011.11.079 | Prostaglandin D2 receptor 2 | 1 |
| 22178554 | 10.1016/j.bmcl.2011.11.079 | Chemoattractant receptor-homologous molecule expressed on Th2 cells | 1 |
Data from ChEMBL 36 via Core Engine