Compound Detail
CHEMBL391414
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Basic Information
| ChEMBL ID | CHEMBL391414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJCZAAWBSMXPEZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
7.57
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-251 | EC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human U251 cells assessed as decrease in cell proliferation... | 28256372 |
| Unchecked | EC50 | = | 50000.0 | nM | 4.3 | Cytotoxicity against human IN1760 cells assessed as decrease in cell proliferati... | 28256372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17583501 | 10.1016/j.bmcl.2007.06.025 | Oryza sativa | 12 |
| 28256372 | 10.1016/j.bmcl.2017.02.033 | Unchecked | 4 |
| - | 10.1007/s00044-013-0737-7 | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-013-0737-7 | Mycolicibacterium smegmatis | 1 |
| - | 10.1007/s00044-013-0737-7 | Lactococcus lactis | 1 |
| - | 10.1007/s00044-013-0737-7 | Bacillus subtilis | 1 |
| - | 10.1007/s00044-013-0737-7 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-013-0737-7 | Escherichia coli | 1 |
| - | 10.1007/s00044-013-0737-7 | Proteus mirabilis | 1 |
| - | 10.1007/s00044-013-0737-7 | Shigella flexneri | 1 |
| - | 10.1007/s00044-013-0737-7 | Pseudomonas aeruginosa | 1 |
| 28256372 | 10.1016/j.bmcl.2017.02.033 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine