Compound Detail
CHEMBL3237093
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
COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3237093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJBCJSCIHUEGBH-IUPOQCCVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
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 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.15 | 4.15 | 71280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 71280.0 | nM | 4.15 | 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 |
| 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