Compound Detail
CHEMBL4094939
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Basic Information
| ChEMBL ID | CHEMBL4094939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPFNZISNUPAYKM-UHFFFAOYSA-N |
1
Targets
4
Activities
3
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.03
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Kd 1 meas. best 7.6
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.7 | 7.215 | 20.0 | 2 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Kd | 7.6 | 7.6 | 25.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.003 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes... | 28523115 |
| Prostaglandin D2 receptor 2 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at DP2 receptor in human isolated eosinophils assessed as in... | 28523115 |
| Prostaglandin D2 receptor 2 | Kd | = | 25.12 | nM | 7.6 | Displacement of [3H]NVP-QAW039 from human DP2 receptor expressed in CHO cell mem... | 28523115 |
| Prostaglandin D2 receptor 2 | IC50 | = | 188.0 | nM | 6.73 | 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 | 7 |
Data from ChEMBL 36 via Core Engine