Compound Detail
CHEMBL1794970
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O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.Oc1ccc(NCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL1794970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFKBHTGNQPAWTF-UKFGXMPHSA-N |
| Parent Compound | CHEMBL1199489 |
| Active Moiety | CHEMBL1199489 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
4.67
ALogP
5
HBA
3
HBD
59.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 320.0 | nM | 6.5 | inhibitory concentration against auto-oxidative lipid peroxidation in canine bra... | 15261288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261288 | 10.1016/j.bmcl.2004.05.091 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine