Compound Detail
CHEMBL3913209
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NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3913209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PELWBOXTPXXOKO-JGINJTNGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
-0.62
ALogP
6
HBA
4
HBD
167.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme CHEMBL3988623 | Ki | 4.65 | 4.425 | 22370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 22370.0 | nM | 4.65 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 63240.0 | nM | 4.2 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
Data from ChEMBL 36 via Core Engine