Compound Detail
CHEMBL3921638
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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)c1cccc2c1CCCC2
Basic Information
| ChEMBL ID | CHEMBL3921638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBTUHOLHVPXABY-FHWLQOOXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
-0.55
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 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme CHEMBL3988623 | Ki | 5.03 | 5.03 | 9310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 9310.0 | nM | 5.03 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
Data from ChEMBL 36 via Core Engine