Compound Detail
CHEMBL2314732
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Basic Information
| ChEMBL ID | CHEMBL2314732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQECCKIOFCWGRJ-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Ki 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor CHEMBL4081 | IC50 | 7.44 | 7.44 | 36.4 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor | IC50 | = | 36.41 | nM | 7.44 | Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 c... | 23199480 |
| D(1A) dopamine receptor | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expresse... | 23332346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 1A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(2) dopamine receptor | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(1A) dopamine receptor | 2 |
| 23199480 | 10.1016/j.bmc.2012.11.002 | Tissue factor | 1 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine