Compound Detail
CHEMBL3912535
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Basic Information
| ChEMBL ID | CHEMBL3912535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEPOPFMYODZFIR-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
5.06
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.85 | 7.2367 | 14.0 | 3 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.54 | 7.54 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at DP2 receptor in human isolated eosinophils assessed as in... | 28523115 |
| Prostaglandin D2 receptor 2 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-PGD2 from human CRTh2 expressed in CHO-K1 cell membranes in... | - |
| Prostaglandin D2 receptor 2 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes... | 28523115 |
| Prostaglandin D2 receptor 2 | IC50 | = | 64.0 | nM | 7.19 | Antagonist activity against human CRTh2 expressed in CHO-K1 cells assessed as in... | - |
| Prostaglandin D2 receptor 2 | IC50 | = | 214.0 | nM | 6.67 | Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-... | 28523115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28523115 | 10.1021/acsmedchemlett.7b00157 | Prostaglandin D2 receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine