Compound Detail
CHEMBL1669195
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Basic Information
| ChEMBL ID | CHEMBL1669195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVWHKEGFSBSUSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.22
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.76
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against human A549 cells | 21495659 |
| Bel-7402 | IC50 | = | 19800.0 | nM | 4.7 | Cytotoxicity against human Bel7402 cells | 21495659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21158423 | 10.1021/np100568w | A549 | 2 |
| 21158423 | 10.1021/np100568w | Staphylococcus aureus | 1 |
| 21158423 | 10.1021/np100568w | Streptococcus pneumoniae | 1 |
| 21495659 | 10.1021/np200037z | A549 | 1 |
| 21495659 | 10.1021/np200037z | Bel-7402 | 1 |
| 21495659 | 10.1021/np200037z | Staphylococcus aureus | 1 |
| 21495659 | 10.1021/np200037z | Escherichia coli | 1 |
| 21495659 | 10.1021/np200037z | Alternaria brassicae | 1 |
| 21495659 | 10.1021/np200037z | Fusarium oxysporum f. sp. vasinfectum | 1 |
| 21495659 | 10.1021/np200037z | Molecular identity unknown | 1 |
| 21495659 | 10.1021/np200037z | Botryosphaeria berengeriana | 1 |
| 21495659 | 10.1021/np200037z | Aspergillus niger | 1 |
Data from ChEMBL 36 via Core Engine