Compound Detail
CHEMBL4084900
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Basic Information
| ChEMBL ID | CHEMBL4084900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUHQDNJEIACSBT-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.37
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human IN1528 cells assessed as decrease in cell proliferati... | 28256372 |
| Unchecked | EC50 | = | 110000.0 | nM | 3.96 | Cytotoxicity against human U87 cells assessed as decrease in cell proliferation ... | 28256372 |
| U-251 | EC50 | = | 250000.0 | nM | 3.6 | Cytotoxicity against human U251 cells assessed as decrease in cell proliferation... | 28256372 |
| Unchecked | EC50 | = | 330000.0 | nM | 3.48 | Cytotoxicity against human IN1760 cells assessed as decrease in cell proliferati... | 28256372 |
| Unchecked | EC50 | = | 350000.0 | nM | 3.46 | Cytotoxicity against human IN1472 cells assessed as decrease in cell proliferati... | 28256372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28256372 | 10.1016/j.bmcl.2017.02.033 | Unchecked | 4 |
| 28256372 | 10.1016/j.bmcl.2017.02.033 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine