Compound Detail
CHEMBL40014
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O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3c(F)cccc3F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL40014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDJRTNDFULUKQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
715.2
MW (Da)
8.19
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 32.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Blood | IC50 | = | 80.0 | nM | 7.1 | Inhibition of TXB2 production in Sprague-Dawley rat whole blood | 18498150 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of cytosolic phospholipase A2alpha by GLU micelle assay | 18498150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18498150 | 10.1021/jm701467e | Unchecked | 1 |
| 18498150 | 10.1021/jm701467e | Blood | 1 |
| 18498150 | 10.1021/jm701467e | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine