Compound Detail
CHEMBL2111765
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
CCOC(=O)CCCCO/N=C(\c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL2111765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZQCOLFCNMYOQK-RSHGFABKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
5.16
ALogP
10
HBA
1
HBD
137.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 5.8 | nM | 8.24 | In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human... | 11814792 |
| Oryctolagus cuniculus | IC50 | = | 68.0 | nM | 7.17 | In vitro inhibition of platelet activating factor induced platelet aggregation i... | 11814792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814792 | 10.1016/s0960-894x(01)00731-4 | Oryctolagus cuniculus | 1 |
| 11814792 | 10.1016/s0960-894x(01)00731-4 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine