Compound Detail
CHEMBL101689
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CCOC(=O)[C@H](CC(C)C)N(C(=O)c1ccc(/N=N\c2ccc(O)c(C(=O)O)c2)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL101689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDVYQXBOBMFAKP-LHKVBINJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
712.8
MW (Da)
6.42
ALogP
12
HBA
2
HBD
193.7
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 1470.0 | nM | 5.83 | 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