Compound Detail
CHEMBL1956155
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COP(=O)(O)[C@@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1956155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLIAKAQPONHNOO-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
2.32
ALogP
7
HBA
4
HBD
143.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 5.94 | 5.94 | 1154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 1154.0 | nM | 5.94 | Displacement of extracellular matrix protein fibrinogen from human integrin alph... | 22185640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22185640 | 10.1021/jm2013826 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine