Compound Detail
CHEMBL465616
CHLOROPUUPEHENONE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(C)CCC[C@]2(C)[C@H]3C=C4C(=CC(=O)C(O)=C4Cl)O[C@@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL465616 |
| Name | CHLOROPUUPEHENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVURSJNKOFPQMR-GQSCTRQFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
362.9
MW (Da)
5.42
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 710.0 | nM | 6.15 | Inhibition of soybean 15-lipoxygenase | 12608855 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of His-tagged human reticulocyte 15-lipoxygenase | 12608855 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of His-tagged human platelet 12-lipoxygenase | 12608855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12608855 | 10.1021/np020462l | Unchecked | 4 |
| 19783432 | 10.1016/j.bmcl.2009.09.015 | Cryptococcus neoformans | 3 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 19783432 | 10.1016/j.bmcl.2009.09.015 | Candida albicans | 1 |
| 19783432 | 10.1016/j.bmcl.2009.09.015 | Pichia kudriavzevii | 1 |
| 19783432 | 10.1016/j.bmcl.2009.09.015 | Nakaseomyces glabratus | 1 |
| 19783432 | 10.1016/j.bmcl.2009.09.015 | Aspergillus fumigatus | 1 |
Data from ChEMBL 36 via Core Engine