Compound Detail
CHEMBL345105
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 | CHEMBL345105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWBGOUXMIVCVPR-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.0
MW (Da)
4.30
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Kd 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Canis familiaris CHEMBL373 | Kd | 8.43 | 8.43 | 3.7 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Canis familiaris | Kd | = | 3.715 | nM | 8.43 | Evaluated for contraction of dog saphenous vein | 1447738 |
| Thromboxane-A synthase | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of Thromboxane A2 synthase | 1447738 |
| Homo sapiens | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibition of U 46619 induced aggregation of washed platelets | 1447738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447738 | 10.1021/jm00101a015 | Thromboxane-A synthase | 1 |
| 1447738 | 10.1021/jm00101a015 | Homo sapiens | 1 |
| 1447738 | 10.1021/jm00101a015 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine