Compound Detail
CHEMBL315802
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CCCc1c(OCCCC/C=C\C=C\[C@H](Sc2ccc3c(=O)cc(C(=O)[O-])oc3c2)[C@H](O)c2cccc(C(F)(F)F)c2)ccc(C(C)=O)c1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL315802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVMDAJYLEKEIPJ-RWRWEHELSA-M |
| Parent Compound | CHEMBL1206833 |
| Active Moiety | CHEMBL1206833 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
710.8
MW (Da)
8.93
ALogP
8
HBA
3
HBD
134.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 26.0 | nM | 7.58 | Binding affinity against Cysteinyl leukotriene D4 receptor | 8709092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine