Compound Detail
CHEMBL2035508
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Basic Information
| ChEMBL ID | CHEMBL2035508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFGZUAACSOMAKB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.65
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL5674 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 80.0 | % | Rattus norvegicus |
| T1/2 | 4.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 6.31 | nM | 8.2 | Antagonist activity at human EP3c receptor expressed in human U2OS cells assesse... | 24900213 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 7.943 | nM | 8.1 | Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-express... | 24900213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900213 | 10.1021/ml100077x | ADMET | 4 |
| 24900213 | 10.1021/ml100077x | Rattus norvegicus | 4 |
| 24900213 | 10.1021/ml100077x | Prostaglandin E2 receptor EP3 subtype | 2 |
Data from ChEMBL 36 via Core Engine