Compound Detail
CHEMBL3942394
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O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3942394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTSILTSKUZERSP-VWLOTQADSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
647.2
MW (Da)
6.04
ALogP
7
HBA
2
HBD
121.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 7.33 | 7.33 | 47.0 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.08 | 6.08 | 830.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | EC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine