Compound Detail
CHEMBL1651056
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Basic Information
| ChEMBL ID | CHEMBL1651056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJEICCBPRLYBQU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
2.54
ALogP
5
HBA
0
HBD
81.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.74
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AGS | IC50 | = | 18400.0 | nM | 4.74 | Cytotoxicity against human AGS cells assessed as cell viability after 72 hrs by ... | 23454511 |
| J82 | IC50 | = | 22800.0 | nM | 4.64 | Cytotoxicity against human J82 cells assessed as cell viability after 72 hrs by ... | 23454511 |
| MRC5 | IC50 | = | 65600.0 | nM | 4.18 | Cytotoxicity against human MRC5 cells assessed as cell viability after 72 hrs by... | 23454511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20961068 | 10.1021/np100370g | NON-PROTEIN TARGET | 3 |
| 20961068 | 10.1021/np100370g | AGS | 1 |
| 20961068 | 10.1021/np100370g | SK-MES-1 | 1 |
| 20961068 | 10.1021/np100370g | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | SK-MES-1 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | MRC5 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | AGS | 1 |
Data from ChEMBL 36 via Core Engine