Compound Detail
CHEMBL3914270
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CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)n1)c1cc(Cl)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL3914270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBSBGXXISRQIMP-UWVGGRQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.8
MW (Da)
3.87
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene C4 synthase CHEMBL1743183 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene C4 synthase | IC50 | = | 0.483 | nM | 9.32 | In Vitro hLTC4 Synthase Enzyme Assay (Test B): In the assay, LTC4 synthase catal... | - |
Data from ChEMBL 36 via Core Engine