Compound Detail
CHEMBL33607
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O=c1cc(-c2cccc(/C=C/c3ccc4ccccc4n3)c2)oc2ccc(-c3nn[nH]n3)cc12
Basic Information
| ChEMBL ID | CHEMBL33607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSRLCKGUHAUHCH-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.36
ALogP
6
HBA
1
HBD
97.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Kd | 6.51 | 6.51 | 307.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Kd | = | 307.0 | nM | 6.51 | In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by... | 9554876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554876 | 10.1021/jm970179x | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine