Compound Detail
CHEMBL3331426
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Cc1ccc(N(Cc2cn(-c3cc4cc(Br)ccc4oc3=N)nn2)C2=CC(=O)c3ccccc3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3331426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRWORRBGUVREFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.4
MW (Da)
5.53
ALogP
8
HBA
1
HBD
105.1
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.66 | 4.66 | 21870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 21870.0 | nM | 4.66 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as ... | 25129868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25129868 | 10.1016/j.ejmech.2014.08.009 | Mycobacterium tuberculosis | 3 |
Data from ChEMBL 36 via Core Engine