Compound Detail
CHEMBL3695460
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Basic Information
| ChEMBL ID | CHEMBL3695460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIXWAFDHGGAHMK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.18
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.53
Kd 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transthyretin CHEMBL3194 | IC50 | 6.53 | 6.53 | 296.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.53 | 6.53 | 296.0 | 1 |
| Transthyretin CHEMBL3194 | Kd | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transthyretin | IC50 | = | 296.0 | nM | 6.53 | FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 smal... | - |
| Unchecked | IC50 | = | 296.0 | nM | 6.53 | The FP assay: The FP assay was then adapted for HTS and used to screen a 120,00... | - |
| Transthyretin | IC50 | = | 296.0 | nM | 6.53 | Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... | - |
| Transthyretin | Kd | = | 320.0 | nM | 6.5 | Determination of Binding Constants of HITS to TTR: Dissociation Constants (Kd) a... | - |
Data from ChEMBL 36 via Core Engine