Compound Detail
CHEMBL3237099
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Basic Information
| ChEMBL ID | CHEMBL3237099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZMQMAHSVZRREE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
369.2
MW (Da)
6.11
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.07 | 4.07 | 85510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 85510.0 | nM | 4.07 | 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 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Mycolicibacterium smegmatis | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Staphylococcus aureus | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Escherichia coli | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine