Compound Detail
CHEMBL365743
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O=C(O)COc1cccc(C[C@@H]2CCCC(O)=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
Basic Information
| ChEMBL ID | CHEMBL365743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMGYYUUEWYWPQR-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
6.78
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 116.0 | nM | 6.94 | Inhibition of ADP-induced aggregation of human platelets | 15935659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15935659 | 10.1016/j.bmcl.2005.04.076 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine