Compound Detail
CHEMBL1359077
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Basic Information
| ChEMBL ID | CHEMBL1359077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHGMMSNKBIMXEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.46
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 3.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-251 CHEMBL615022 | EC50 | 3.22 | 3.22 | 600000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-251 | EC50 | = | 600000.0 | nM | 3.22 | Cytotoxicity against human U251 cells assessed as decrease in cell proliferation... | 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