Compound Detail
CHEMBL337331
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
Basic Information
| ChEMBL ID | CHEMBL337331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKSPBMJCOLSERQ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
3.91
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Kd 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Canis familiaris CHEMBL373 | Kd | 7.93 | 7.93 | 11.8 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.93 | 6.68 | 117.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Canis familiaris | Kd | = | 11.75 | nM | 7.93 | The compound was tested in vitro for its inhibitory activity against U 46619-ind... | 1447737 |
| Thromboxane-A synthase | IC50 | = | 14.0 | nM | 7.85 | The compound was tested in vitro for its inhibitory activity against thromboxane... | 1447737 |
| Homo sapiens | IC50 | = | 117.0 | nM | 6.93 | The compound was tested in vitro for its inhibitory activity against U 46619-ind... | 1447737 |
| Homo sapiens | IC50 | = | 370.0 | nM | 6.43 | The compound was tested in vitro for its inhibitory activity against U 46619-ind... | 1447737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447737 | 10.1021/jm00101a014 | Homo sapiens | 2 |
| 1447737 | 10.1021/jm00101a014 | Thromboxane-A synthase | 1 |
| 1447737 | 10.1021/jm00101a014 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine