Compound Detail
CHEMBL315205
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Basic Information
| ChEMBL ID | CHEMBL315205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPYGNSGQZHVOEJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.7
MW (Da)
3.56
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.08 | 4.08 | 83960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 83960.0 | nM | 4.08 | In vitro cytotoxic activity against human lung carcinoma A549 cell line | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00463-5 | A549 | 1 |
| - | 10.1016/0960-894X(96)00463-5 | SK-MEL-2 | 1 |
Data from ChEMBL 36 via Core Engine