Compound Detail
CHEMBL155204
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Basic Information
| ChEMBL ID | CHEMBL155204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
0.10
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.0 | 4.85 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Esche... | 30688456 |
| Transthyretin | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Esche... | 30688456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30688456 | 10.1021/acs.jmedchem.8b01700 | Transthyretin | 6 |
| 6220152 | 10.1021/jm00358a025 | Gallus gallus | 1 |
| 17300184 | 10.1021/jm061162u | MCF7 | 1 |
| 17300184 | 10.1021/jm061162u | SW-620 | 1 |
| 17300184 | 10.1021/jm061162u | NCI-H460 | 1 |
| 17300184 | 10.1021/jm061162u | MIA PaCa-2 | 1 |
| 17300184 | 10.1021/jm061162u | HeLa | 1 |
| 21628081 | 10.1016/j.ejmech.2011.05.009 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine