Compound Detail
CHEMBL114013
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
Basic Information
| ChEMBL ID | CHEMBL114013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBPZHHDBBBMAFS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
6.20
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells | - |
| Rattus norvegicus | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against peroxidation of rat cardiac membrane liposomes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80140-2 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80140-2 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine