Compound Detail
CHEMBL36817
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Basic Information
| ChEMBL ID | CHEMBL36817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMHAOJIJVNDMKA-BRIYLRKRSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.49
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
EC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 6.46 | 6.37 | 350.0 | 2 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Prostaglandin F2-alpha receptor CHEMBL1987 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 350.0 | nM | 6.46 | Affinity for human Prostanoid FP receptor expressed in COS-7 cells | 10715159 |
| Prostaglandin F2-alpha receptor | IC50 | = | 522.0 | nM | 6.28 | Displacement of [3H]PGF2-alpha from human FP-receptor expressed in CHO-KI cells | 10915040 |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 4900.0 | nM | 5.31 | Affinity for Prostanoid EP2 receptor expressed in CHO cells | 10715159 |
| Prostaglandin F2-alpha receptor | EC50 | = | 5000.0 | nM | 5.3 | Functional activity in RAT-1cells, transiently-transfected with human FP-recepto... | 10915040 |
| Thromboxane A2 receptor | EC50 | = | 30000.0 | nM | 4.52 | Functional activity in RAT-1cells, transiently-transfected with human TP-recepto... | 10915040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin F2-alpha receptor | 2 |
| 10715159 | 10.1021/jm990542v | Prostaglandin F2-alpha receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP1 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP2 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP3 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP4 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Thromboxane A2 receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin D2 receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostacyclin receptor | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Thromboxane A2 receptor | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine