Compound Detail
CHEMBL2042822
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Basic Information
| ChEMBL ID | CHEMBL2042822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTOYPQMSVFUXOZ-PCLIKHOPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
3.86
ALogP
7
HBA
2
HBD
74.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 610.0 | nM | 6.21 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 22727449 |
| HepG2 | IC50 | = | 1740.0 | nM | 5.76 | Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay | 22727449 |
| SGC-7901 | IC50 | = | 3550.0 | nM | 5.45 | Cytotoxicity against human SGC7901 cells after 72 hrs by MTT assay | 22727449 |
| NCI-H460 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human H460 cells after 72 hrs by MTT assay | 22727449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727449 | 10.1016/j.ejmech.2012.05.039 | NCI-H460 | 1 |
| 22727449 | 10.1016/j.ejmech.2012.05.039 | HT-29 | 1 |
| 22727449 | 10.1016/j.ejmech.2012.05.039 | HepG2 | 1 |
| 22727449 | 10.1016/j.ejmech.2012.05.039 | SGC-7901 | 1 |
Data from ChEMBL 36 via Core Engine