Compound Detail
CHEMBL4857136
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COc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1S(=O)(=O)N1CCN(c2ccccc2C)CC1
Basic Information
| ChEMBL ID | CHEMBL4857136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTMLKQIPYGVCTP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.8
MW (Da)
3.33
ALogP
7
HBA
0
HBD
90.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Blood CHEMBL613444 | IC50 | 6.44 | 6.23 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Blood | IC50 | = | 360.0 | nM | 6.44 | Anti-platelet aggregation activity in rabbit venous blood assessed as inhibition... | 34500186 |
| Blood | IC50 | = | 950.0 | nM | 6.02 | Anti-platelet aggregation activity in rabbit venous blood assessed as inhibition... | 34500186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34500186 | 10.1016/j.bmc.2021.116390 | Blood | 5 |
Data from ChEMBL 36 via Core Engine