Compound Detail
CHEMBL145053
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CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cccc(C[n+]3csc(C)c3)c2)cc1C(C)(C)C.[Br-]
Basic Information
| ChEMBL ID | CHEMBL145053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALXRDYAHEVBMJN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180831 |
| Active Moiety | CHEMBL1180831 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.9
MW (Da)
9.70
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3500.0 | nM | 5.46 | Concentration required to inhibit PAF (5*10e-8 M) induced platelet aggregation i... | 1336052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1336052 | 10.1021/jm00104a002 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine