Compound Detail
CHEMBL3183219
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Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccccn2)c1C(=O)NCCc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3183219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOPLFGSURRTEMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
5.11
ALogP
4
HBA
4
HBD
116.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16374.0 | nM | 4.79 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28843180 | 10.1016/j.ejmech.2017.07.047 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
Data from ChEMBL 36 via Core Engine