Compound Detail
CHEMBL33319
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CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CNC(=O)c3ccc4c(c3)C(=O)N(CCC3CCNCC3)C4)C(=O)O)cccc12
Basic Information
| ChEMBL ID | CHEMBL33319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHXYWDOTWSWKJY-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
607.7
MW (Da)
2.41
ALogP
7
HBA
4
HBD
148.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human gel filtered platelet aggregation stimulated by ADP (10 mM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00242-9 | Homo sapiens | 1 |
| - | 10.1016/0960-894X(96)00242-9 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine