Compound Detail
CHEMBL60555
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Basic Information
| ChEMBL ID | CHEMBL60555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWUOLAUUOCLFCW-ZVBMZXMJSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.04
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.7
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 2.0 | nM | 8.7 | Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells | 11454474 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 8.7 | nM | 8.06 | Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells | 11454474 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 91.0 | nM | 7.04 | Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells | 11454474 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 95.0 | nM | 7.02 | Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells | 11454474 |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 1000.0 | nM | 6.0 | Effective concentration for increased intracellular c-AMP production by mouse Pr... | 11454474 |
| Prostacyclin receptor | Ki | = | 1400.0 | nM | 5.85 | Affinity for human Prostanoid IP receptor expressed in CHO cells | 11454474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11454474 | 10.1016/s0960-894x(01)00365-1 | Prostaglandin E2 receptor EP4 subtype | 2 |
| 11454474 | 10.1016/s0960-894x(01)00365-1 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 11454474 | 10.1016/s0960-894x(01)00365-1 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 11454474 | 10.1016/s0960-894x(01)00365-1 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 11454474 | 10.1016/s0960-894x(01)00365-1 | Prostacyclin receptor | 1 |
Data from ChEMBL 36 via Core Engine