Compound Detail
CHEMBL5267127
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Basic Information
| ChEMBL ID | CHEMBL5267127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTBSAFVXFLZDIR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.03
ALogP
7
HBA
2
HBD
66.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.68 | 5.27 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 2100.0 | nM | 5.68 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 expr... | 33075682 |
| Mycobacterium tuberculosis | IC50 | = | 13700.0 | nM | 4.86 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 expr... | 33075682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33075682 | 10.1016/j.bmc.2020.115797 | Mycobacterium tuberculosis | 2 |
Data from ChEMBL 36 via Core Engine