Compound Detail
CHEMBL158098
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Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C(C)(C)C)cc35)CCC4)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL158098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEDPHZOOSOPEJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.19
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 89.0 | nM | 7.05 | Ability to inhibit histamine-induced contractions of isolated guinea pig ileum | 7861415 |
| Oryctolagus cuniculus | IC50 | = | 5900.0 | nM | 5.23 | Test against PAF-induced aggregation of rabbit platelets in vitro | 7861415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861415 | 10.1021/jm00004a013 | Cavia porcellus | 1 |
| 7861415 | 10.1021/jm00004a013 | Oryctolagus cuniculus | 1 |
| 7861415 | 10.1021/jm00004a013 | Rattus norvegicus | 1 |
| 7861415 | 10.1021/jm00004a013 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine