Compound Detail
CHEMBL4208967
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Basic Information
| ChEMBL ID | CHEMBL4208967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXRFHURXURZGMT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.63
ALogP
7
HBA
1
HBD
117.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.26 | 4.2 | 55000.0 | 2 |
| Vero CHEMBL391 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 55000.0 | nM | 4.26 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 afte... | 28993106 |
| Vero | IC50 | = | 66000.0 | nM | 4.18 | Cytotoxicity against African green monkey Vero cells after 2 days by CellTiter-G... | 28993106 |
| Mycobacterium tuberculosis | IC50 | = | 73000.0 | nM | 4.14 | Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 afte... | 28993106 |
| L6 | IC50 | = | 86000.0 | nM | 4.07 | Cytotoxicity against rat L6 cells after 2 days by CellTiter-Glo luminescent cell... | 28993106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28993106 | 10.1016/j.bmc.2017.09.037 | Mycobacterium tuberculosis | 22 |
| 28993106 | 10.1016/j.bmc.2017.09.037 | Vero | 1 |
| 28993106 | 10.1016/j.bmc.2017.09.037 | L6 | 1 |
Data from ChEMBL 36 via Core Engine