Compound Detail
CHEMBL263564
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-])COc1cccc2c1CCC[C@@H]2NCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL263564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBLASTBSKGJEEW-BQAIUKQQSA-M |
| Parent Compound | CHEMBL1206341 |
| Active Moiety | CHEMBL1206341 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
5.64
ALogP
5
HBA
2
HBD
84.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of ADP-induced platelet aggregation in human platelet rich p... | 15935660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15935660 | 10.1016/j.bmcl.2005.04.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine