Compound Detail
CHEMBL335051
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C([O-])COc1cccc(C[C@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL335051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPECFBBZFTXROT-GJFSDDNBSA-M |
| Parent Compound | CHEMBL2219595 |
| Active Moiety | CHEMBL2219595 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
6.90
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibition of ADP-induced platelet aggregation using human platelet ric... | 14643308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643308 | 10.1016/j.bmcl.2003.09.054 | Homo sapiens | 1 |
| 14643308 | 10.1016/j.bmcl.2003.09.054 | Prostacyclin receptor | 1 |
Data from ChEMBL 36 via Core Engine