Compound Detail
CHEMBL605776
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COc1cc(O)cc(/C=C/C=C/C(=O)NCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL605776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLWQMUABCICAJZ-BPNXTJCCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.36
ALogP
5
HBA
2
HBD
71.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine