Compound Detail
CHEMBL2314741
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COc1ccc2c(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4
Basic Information
| ChEMBL ID | CHEMBL2314741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCHYIOQLUNYHOD-IMBIOGTGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
0.26
ALogP
10
HBA
4
HBD
130.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor CHEMBL4081 | IC50 | 7.41 | 7.41 | 38.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor | IC50 | = | 38.59 | nM | 7.41 | Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 c... | 23199480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(1A) dopamine receptor | 2 |
| 30981605 | 10.1016/j.bmc.2019.04.014 | D(2) dopamine receptor | 2 |
| 23199480 | 10.1016/j.bmc.2012.11.002 | Tissue factor | 1 |
Data from ChEMBL 36 via Core Engine