Compound Detail
CHEMBL313469
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O=C(O)COc1ccc(C(=O)CNC(=O)c2sc3c(c2Cc2ccccc2)CNCC3)cc1OCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL313469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALOXVVXDTYIHDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
2.52
ALogP
8
HBA
4
HBD
151.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 62.0 | nM | 7.21 | Biotinylated fibrinogen binding to alpha IIb beta-3 integrin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00476-3 | Homo sapiens | 1 |
| - | 10.1016/0960-894X(96)00476-3 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine