Compound Detail
CHEMBL4061744
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL4061744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDVLNXJCVIQQEP-WGSAOQKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
555.0
MW (Da)
4.15
ALogP
7
HBA
3
HBD
142.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | EC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | EC50 | = | 1050.0 | nM | 5.98 | Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells asse... | 28072531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28072531 | 10.1021/acs.jmedchem.6b00871 | Prostacyclin receptor | 3 |
| 28072531 | 10.1021/acs.jmedchem.6b00871 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine