Compound Detail
CHEMBL12340
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Basic Information
| ChEMBL ID | CHEMBL12340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEQOMUMUYUCLGG-VUTHCHCSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.22
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1400.0 | nM | 5.85 | PGI-2 agonistic activity by measuring inhibition of 4 uM ADP-induced human plate... | - |
| Thromboxane-A synthase | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against Thromboxane A2 synthase in human platelet microsome | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00171-O | Homo sapiens | 1 |
| - | 10.1016/0960-894X(95)00171-O | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine