Compound Detail
CHEMBL321501
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CCOC(=O)[C@H](CC(C)C)N(C(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL321501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMZWJBAJRVUGHT-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.18
ALogP
9
HBA
1
HBD
137.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 30.0 | nM | 7.52 | Concentration required to inhibit PAF-induced maximum aggregation by 50% | 11520209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520209 | 10.1021/jm010852p | Oryctolagus cuniculus | 1 |
| 11520209 | 10.1021/jm010852p | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine