Compound Detail
CHEMBL4642182
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CCn1c(-n2cc(/C=N/N=c3\scc(-c4ccc(Br)cc4)n3-c3ccccc3)c(-c3ccc(OC)cc3)n2)nc2c1c(=O)n(C)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL4642182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBDSSQQFSJVEIX-QXOQZBCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
736.7
MW (Da)
5.53
ALogP
13
HBA
0
HBD
118.5
PSA (Ų)
0.15
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.74 | 5.74 | 1820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1820.0 | nM | 5.74 | Inhibition of soybean 15-LOX using arachidonic acid or linoleic acid as substrat... | 32127262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32127262 | 10.1016/j.bmc.2020.115403 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine