Compound Detail
CHEMBL2296887
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Basic Information
| ChEMBL ID | CHEMBL2296887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBPGNEJLNIOISU-WTWSJCBWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
1.52
ALogP
5
HBA
3
HBD
113.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 740.0 | nM | 6.13 | Cytotoxicity against Homo sapiens (human) MCF7 cells after 48 hr by MTT assay | - |
| HeLa | IC50 | = | 1052.0 | nM | 5.98 | Cytotoxicity against Homo sapiens (human) HeLa cells after 48 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0541-4 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-013-0541-4 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-013-0541-4 | Bacillus subtilis | 1 |
| - | 10.1007/s00044-013-0541-4 | Shigella dysenteriae | 1 |
| - | 10.1007/s00044-013-0541-4 | Salmonella typhi | 1 |
| - | 10.1007/s00044-013-0541-4 | Klebsiella pneumoniae | 1 |
| - | 10.1007/s00044-013-0541-4 | Escherichia coli | 1 |
| - | 10.1007/s00044-013-0541-4 | MCF7 | 1 |
| - | 10.1007/s00044-013-0541-4 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine