Compound Detail
CHEMBL96139
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Cn1c(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc2cc(OCC3CCNCC3)ccc21
Basic Information
| ChEMBL ID | CHEMBL96139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVRFSHZYJVWFJP-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
1.72
ALogP
7
HBA
4
HBD
138.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 15.0 | nM | 7.82 | Inhibition of ADP-induced platelet aggregation in human gel-filtered platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10085-3 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(97)10085-3 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine