Compound Detail
CHEMBL3967284
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O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3967284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYIWYIIDTHEYIY-DEOSSOPVSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
656.7
MW (Da)
5.12
ALogP
9
HBA
2
HBD
140.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine