Compound Detail
CHEMBL487343
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O=C(NCCCCC1C(=O)/C(=C(\O)C2CCC2)C(=O)N1Cc1ccccc1)Nc1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL487343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFFWDQSMOLGSGW-WCWDXBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
5.22
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 158.0 | nM | 6.8 | Inhibition of Arabidopsis 4-hydroxyphenylpyruvate dioxygenase | 19349185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19349185 | 10.1016/j.bmc.2009.03.027 | Unchecked | 1 |
| 19349185 | 10.1016/j.bmc.2009.03.027 | 4-hydroxyphenylpyruvate dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine