Compound Detail
CHEMBL3088246
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Basic Information
| ChEMBL ID | CHEMBL3088246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHGYFPWQYCJJDR-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.1
MW (Da)
4.91
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.64
IC50 1 meas. best 5.23
Kd 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.19 | 7.19 | 64.0 | 1 |
| Taste receptor type 2 member 14 CHEMBL3309105 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 64.0 | nM | 7.19 | Binding affinity to human recombinant TTR Y78F mutant after 5 mins by isothermal... | 24147937 |
| Taste receptor type 2 member 14 | EC50 | = | 230.0 | nM | 6.64 | Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 a... | 36847646 |
| Unchecked | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human recombinant TTR Y78F mutant-mediated fibrillogenesis after 3... | 24147937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24147937 | 10.1021/jm401061w | Unchecked | 3 |
| 36847646 | 10.1021/acs.jmedchem.2c01997 | Taste receptor type 2 member 14 | 2 |
Data from ChEMBL 36 via Core Engine