Compound Detail
CHEMBL1807085
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COc1ccc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL1807085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFCQJOVPEGKEHD-VZKVSVTQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
592.3
MW (Da)
8.79
ALogP
5
HBA
0
HBD
63.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.14 | 4.14 | 72330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 72330.0 | nM | 4.14 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days... | 24631899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24631899 | 10.1016/j.ejmech.2014.02.065 | Mycobacterium tuberculosis | 3 |
| 21550697 | 10.1016/j.ejmech.2011.04.024 | No relevant target | 1 |
| 21550697 | 10.1016/j.ejmech.2011.04.024 | HeLa | 1 |
| 24631899 | 10.1016/j.ejmech.2014.02.065 | ADMET | 1 |
| 24631899 | 10.1016/j.ejmech.2014.02.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine