Compound Detail
CHEMBL340197
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Cn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c(-c2cccc(OCC(=O)O)c2)n1
Basic Information
| ChEMBL ID | CHEMBL340197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBIXFTLSFZCFTM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
5.54
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.52 | 6.355 | 302.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 302.0 | nM | 6.52 | Inhibitory concentration for displacing [3H]iloprost from human platelet membran... | 7504734 |
| Homo sapiens | IC50 | = | 650.0 | nM | 6.19 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine