Compound Detail
CHEMBL301280
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Basic Information
| ChEMBL ID | CHEMBL301280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMSRXWFVIGHRDT-WNQHEHQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.64
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.89 | 4.89 | 12980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of thromboxane synthase using [14C]arachidonic acid | 1829485 |
| Homo sapiens | IC50 | = | 12980.0 | nM | 4.89 | In vitro inhibition of U 46619 induced aggregation of washed human platelets | 1829485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1829485 | 10.1021/jm00110a006 | Thromboxane-A synthase | 1 |
| 1829485 | 10.1021/jm00110a006 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine