Compound Detail
CHEMBL2022208
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Basic Information
| ChEMBL ID | CHEMBL2022208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQMBIURMTDTUCW-TYPNBTCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.27
ALogP
3
HBA
3
HBD
94.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 7.1 | 7.1 | 78.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 78.9 | nM | 7.1 | Cytotoxicity against human HT-29 cells after 48 hrs using resazurin by microplat... | 22185476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22185476 | 10.1021/jm2009088 | Unchecked | 1 |
| 22185476 | 10.1021/jm2009088 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine