Compound Detail
CHEMBL3716217
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Basic Information
| ChEMBL ID | CHEMBL3716217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEDSLLJAFFZQLO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.61
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T1R1/T1R3 CHEMBL3832641 | EC50 | 6.85 | 6.85 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T1R1/T1R3 | EC50 | = | 140.0 | nM | 6.85 | Agonist activity at human T1R1/T1R3 expressed in HEK293T cells co-expressing Gal... | - |
| T1R1/T1R3 | EC50 | = | 140.0 | nM | 6.85 | Immunological Binding Assay: Immunoassays also often use a labeling agent to spe... | - |
Data from ChEMBL 36 via Core Engine