Compound Detail
CHEMBL3685967
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Basic Information
| ChEMBL ID | CHEMBL3685967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSAMABZKHDGRRF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.89
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 0.3 | nM | 9.52 | Radioligand Binding Assay: The CRTH2 receptor binding assay is performed in a sc... | - |
Data from ChEMBL 36 via Core Engine