Compound Detail
CHEMBL329935
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC(=O)[C@H](CC(C)C)N(Cc1cccc(N)c1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL329935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDGVCKZAMNPKAA-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
4.54
ALogP
8
HBA
1
HBD
120.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 17.0 | nM | 7.77 | 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