Compound Detail
CHEMBL3898378
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Basic Information
| ChEMBL ID | CHEMBL3898378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWQGNIAPBHQVLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
12
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.54
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 232.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1347.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 226.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1331.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 25.08 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 478.59 | nM | Rattus norvegicus |
| Cmax | 10775.1 | nM | Rattus norvegicus |
| F | 6.888 | % | Rattus norvegicus |
| T1/2 | 1.592 | hr | Rattus norvegicus |
| T1/2 | 2.71 | hr | Rattus norvegicus |
| Tmax | 2.45 | hr | Rattus norvegicus |
| Tmax | 0.083 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-medi... | 27541261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27541261 | 10.1016/j.ejmech.2016.08.003 | ADMET | 13 |
| 27541261 | 10.1016/j.ejmech.2016.08.003 | Transthyretin | 3 |
Data from ChEMBL 36 via Core Engine