Compound Detail
CHEMBL3896035
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CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL3896035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFVYRGBDKURRE-QHCPKHFHSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
5.14
ALogP
7
HBA
2
HBD
121.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine