Compound Detail
CHEMBL1486032
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Basic Information
| ChEMBL ID | CHEMBL1486032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWZZAPXREYFXAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
0.83
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 1130.0 | nM | 5.95 | Cytotoxicity against Homo sapiens (human) HT-29 cells assessed as cell viability... | - |
| C6 | IC50 | = | 3190.0 | nM | 5.5 | Cytotoxicity against Rattus norvegicus (rat) C6 cells assessed as cell viability... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0021-2 | Candida albicans | 1 |
| - | 10.1007/s00044-012-0021-2 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-012-0021-2 | Escherichia coli | 1 |
| - | 10.1007/s00044-012-0021-2 | Enterococcus faecalis | 1 |
| - | 10.1007/s00044-012-0021-2 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-012-0021-2 | C6 | 1 |
| - | 10.1007/s00044-012-0021-2 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine