Compound Detail
CHEMBL83116
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Basic Information
| ChEMBL ID | CHEMBL83116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCYDXOVJXVALHY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
324.0
MW (Da)
5.38
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 5.8 | 5.8 | 1584.9 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.42 | 4.42 | 38018.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 1590.0 | nM | 5.8 | Stabilization of recombinant human wild type TTR expressed in Escherichia coli B... | 27020050 |
| Transthyretin | IC50 | = | 1584.89 | nM | 5.8 | Stabilization of recombinant human wild type TTR expressed in Escherichia coli B... | 27020050 |
| Transthyretin | IC50 | = | 1590.0 | nM | 5.8 | In vitro evaluation of inhibitory activity against WT-TTR: In vitro evaluation o... | - |
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant TTR Y78F mutant-mediated fibrillogenesis after 3... | 24147937 |
| Androgen receptor | IC50 | = | 38018.94 | nM | 4.42 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097319 | 10.1021/jm00162a006 | Transthyretin | 2 |
| 3009810 | 10.1021/jm00155a010 | Transthyretin | 2 |
| 24147937 | 10.1021/jm401061w | Unchecked | 2 |
| 27020050 | 10.1016/j.ejmech.2016.02.074 | Transthyretin | 2 |
| 28625364 | 10.1016/j.bmcl.2017.05.080 | Transthyretin | 2 |
| 3100800 | 10.1021/jm00384a014 | Transthyretin | 1 |
| 3100800 | 10.1021/jm00384a014 | Thyroid hormone receptor | 1 |
| 3097319 | 10.1021/jm00162a006 | Unchecked | 1 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 27020050 | 10.1016/j.ejmech.2016.02.074 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine