Compound Detail
CHEMBL2035507
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Basic Information
| ChEMBL ID | CHEMBL2035507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULLMPWRVQAIRRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
2.50
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL5674 | Ki | 6.5 | 6.5 | 316.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 32.0 | % | Rattus norvegicus |
| T1/2 | 5.1 | 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 | = | 199.53 | nM | 6.7 | Antagonist activity at human EP3c receptor expressed in human U2OS cells assesse... | 24900213 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 316.23 | nM | 6.5 | 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 | Rattus norvegicus | 4 |
| 24900213 | 10.1021/ml100077x | Prostaglandin E2 receptor EP3 subtype | 2 |
| 24900213 | 10.1021/ml100077x | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine