Compound Detail
CHEMBL3793209
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O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](COc4ccccc4)[C@H](O)C[C@@H]3O2)n1
Basic Information
| ChEMBL ID | CHEMBL3793209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLIHKSYTBDCPSM-HSMRXVHUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.14
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP l... | 27055938 |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human EP2 receptor expressed in CHO cells assessed as increa... | 26985320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27055938 | 10.1016/j.bmcl.2016.03.110 | Prostaglandin E2 receptor EP2 subtype | 4 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostaglandin E2 receptor EP2 subtype | 4 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostacyclin receptor | 1 |
| 26985320 | 10.1021/acsmedchemlett.5b00455 | Prostaglandin F2-alpha receptor | 1 |
Data from ChEMBL 36 via Core Engine