Compound Detail
CHEMBL2314744
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COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3CN1CC2
Basic Information
| ChEMBL ID | CHEMBL2314744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAIYZGMNNQVTPY-BRJISNDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
0.55
ALogP
10
HBA
4
HBD
130.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor CHEMBL4081 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor | IC50 | = | 12.61 | nM | 7.9 | Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 c... | 23199480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23199480 | 10.1016/j.bmc.2012.11.002 | Tissue factor | 1 |
Data from ChEMBL 36 via Core Engine