Compound Detail
CHEMBL2234429
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Basic Information
| ChEMBL ID | CHEMBL2234429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPFCKMRHLBCCES-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
246.1
MW (Da)
2.88
ALogP
3
HBA
0
HBD
35.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.01 | 4.01 | 98580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 98580.0 | nM | 4.01 | Cytotoxicity against Homo sapiens (human) A549 cell by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9367-5 | Candida albicans | 2 |
| - | 10.1007/s00044-010-9367-5 | Aspergillus niger | 2 |
| - | 10.1007/s00044-010-9367-5 | Rhizopus arrhizus | 2 |
| - | 10.1007/s00044-010-9367-5 | Saccharomyces cerevisiae | 2 |
| - | 10.1007/s00044-010-9353-y | SW480 | 1 |
| - | 10.1007/s00044-010-9353-y | A549 | 1 |
| - | 10.1007/s00044-010-9353-y | MCF7 | 1 |
| - | 10.1007/s00044-010-9353-y | HeLa | 1 |
| - | 10.1007/s00044-010-9367-5 | Klebsiella pneumoniae | 1 |
| - | 10.1007/s00044-010-9367-5 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-010-9367-5 | Escherichia coli | 1 |
| - | 10.1007/s00044-010-9367-5 | Staphylococcus epidermidis | 1 |
| - | 10.1007/s00044-010-9367-5 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-010-9367-5 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine