Compound Detail
CHEMBL3954284
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Basic Information
| ChEMBL ID | CHEMBL3954284 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LLRIQFIHWHSMMB-CIUDSAMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
-2.90
ALogP
5
HBA
4
HBD
164.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor CHEMBL4553 | Ki | 5.15 | 5.15 | 7079.5 | 1 |
| Thyrotropin releasing hormone degrading enzyme CHEMBL3988623 | Ki | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor | Ki | = | 7079.46 | nM | 5.15 | Displacement of [3H]-3MeHis-TRH from TRH receptor in Sprague-Dawley rat cortical... | - |
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 17500.0 | nM | 4.76 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
Data from ChEMBL 36 via Core Engine