Compound Detail
CHEMBL1915673
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Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(C)c1C
Basic Information
| ChEMBL ID | CHEMBL1915673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCSFMOQPIRSCAX-NRFANRHFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.77
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Ki 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL3933 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 12.0 | nM | 7.92 | Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells asses... | 21982795 |
| Prostacyclin receptor | Ki | = | 5200.0 | nM | 5.28 | Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO ... | 21982795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21982795 | 10.1016/j.bmc.2011.08.065 | Prostaglandin D2 receptor | 2 |
| 21982795 | 10.1016/j.bmc.2011.08.065 | Prostacyclin receptor | 1 |
Data from ChEMBL 36 via Core Engine