Compound Detail
CHEMBL434013
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Basic Information
| ChEMBL ID | CHEMBL434013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBJCECYKAMVTDR-XYDKVVAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
4.98
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 1.995 | nM | 8.7 | Compound was evaluated for its binding affinity on guinea-pig ileum | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80009-8 | Cavia porcellus | 1 |
| - | 10.1016/S0960-894X(00)80009-8 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine