Compound Detail
CHEMBL2235105
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Basic Information
| ChEMBL ID | CHEMBL2235105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBNNDZSABULTFU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
3.62
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.16 | 4.16 | 68600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 68600.0 | nM | 4.16 | Cytotoxicity against Homo sapiens (human) A549 cells after 72 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9937-1 | HEK293 | 1 |
| - | 10.1007/s00044-011-9937-1 | KB | 1 |
| - | 10.1007/s00044-011-9937-1 | SW480 | 1 |
| - | 10.1007/s00044-011-9937-1 | A549 | 1 |
Data from ChEMBL 36 via Core Engine