Compound Detail
CHEMBL3890392
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Basic Information
| ChEMBL ID | CHEMBL3890392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJKUZDVKVYOCKH-NSCUHMNNSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.7
MW (Da)
3.70
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Kd 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | Kd | 8.41 | 7.485 | 3.9 | 2 |
| Transthyretin CHEMBL3194 | IC50 | 5.6 | 5.6 | 2490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | Kd | = | 3.9 | nM | 8.41 | Binding affinity to recombinant human wild type TTR expressed in Escherichia col... | 27020050 |
| Transthyretin | Kd | = | 278.0 | nM | 6.56 | Binding affinity to recombinant human wild type TTR expressed in Escherichia col... | 27020050 |
| Transthyretin | IC50 | = | 2490.0 | nM | 5.6 | Stabilization of recombinant human wild type TTR expressed in Escherichia coli B... | 27020050 |
| Transthyretin | IC50 | = | 2511.89 | nM | 5.6 | Stabilization of recombinant human wild type TTR expressed in Escherichia coli B... | 27020050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27020050 | 10.1016/j.ejmech.2016.02.074 | Transthyretin | 4 |
| 27020050 | 10.1016/j.ejmech.2016.02.074 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine