Compound Detail
CHEMBL126616
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CC(C)OC(=O)C(Cc1cccc(OCC(=O)O)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
Basic Information
| ChEMBL ID | CHEMBL126616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVADPHYDEMJBBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
5.75
ALogP
6
HBA
1
HBD
98.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1220.0 | nM | 5.91 | In vitro inhibition of ADP-induced aggregation of human platelets | 8254619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254619 | 10.1021/jm00076a017 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine