Compound Detail
CHEMBL101723
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Basic Information
| ChEMBL ID | CHEMBL101723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOQPAHOCLWJZQQ-BSYVCWPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.95
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Thromboxane-A synthase CHEMBL4028 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 100.0 | nM | 7.0 | Inhibition of K+ induced contractions of the isolated guinea pig ileum. | 8411014 |
| Thromboxane-A synthase | IC50 | = | 280.0 | nM | 6.55 | In vitro inhibition of thromboxane B2 production in rat whole blood. | 8411014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411014 | 10.1021/jm00072a017 | Thromboxane-A synthase | 1 |
| 8411014 | 10.1021/jm00072a017 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine