Compound Detail
CHEMBL5289282
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Basic Information
| ChEMBL ID | CHEMBL5289282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWCUEAPEURKCR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.46
ALogP
7
HBA
1
HBD
63.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 6.68 | 6.32 | 210.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.96 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 210.0 | nM | 6.68 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 expr... | 33075682 |
| Mycobacterium tuberculosis | IC50 | = | 1100.0 | nM | 5.96 | 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 |
| 33075682 | 10.1016/j.bmc.2020.115797 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine