Compound Detail
CHEMBL2236857
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Basic Information
| ChEMBL ID | CHEMBL2236857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYSPQGTZQKWQHA-CSKARUKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
4.24
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SGC-7901 | IC50 | = | 7250.0 | nM | 5.14 | Cytotoxicity against Homo sapiens (human) SGC7901 cells after 72 hr by MTT assay | - |
| HT-29 | IC50 | = | 24190.0 | nM | 4.62 | Cytotoxicity against Homo sapiens (human) HT-29 cells after 72 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9549-9 | Staphylococcus aureus | 3 |
| - | 10.1007/s00044-011-9549-9 | Acinetobacter baumannii | 2 |
| - | 10.1007/s00044-011-9549-9 | Escherichia coli | 2 |
| - | 10.1007/s00044-011-9549-9 | Staphylococcus epidermidis | 2 |
| - | 10.1007/s00044-011-9549-9 | Pseudomonas aeruginosa | 2 |
| - | 10.1007/s00044-011-9549-9 | Klebsiella pneumoniae | 2 |
| - | 10.1007/s00044-011-9549-9 | Enterococcus faecium | 1 |
| - | 10.1007/s00044-011-9549-9 | Enterococcus faecalis | 1 |
| - | 10.1007/s00044-011-9549-9 | HT-29 | 1 |
| - | 10.1007/s00044-011-9549-9 | SGC-7901 | 1 |
Data from ChEMBL 36 via Core Engine