Compound Detail
CHEMBL570013
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Basic Information
| ChEMBL ID | CHEMBL570013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVXOHQAYPDOUFI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
2.67
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 5.14 | 5.14 | 7270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggr... | 19651509 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 7270.0 | nM | 5.14 | Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues... | 28688273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19651509 | 10.1016/j.bmcl.2009.03.004 | Transthyretin | 4 |
| 28688273 | 10.1016/j.ejmech.2017.06.060 | Leucine-rich repeat serine/threonine-protein kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine