Compound Detail
CHEMBL3906398
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Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCC(=O)N3)ccc12
Basic Information
| ChEMBL ID | CHEMBL3906398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNGYDACLOQMCZ-ULQDDVLXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
-0.33
ALogP
7
HBA
4
HBD
180.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme CHEMBL3988623 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Thyrotropin-releasing hormone receptor CHEMBL4553 | Ki | 4.32 | 4.32 | 47863.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 410.0 | nM | 6.39 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
| Thyrotropin-releasing hormone receptor | Ki | = | 47863.01 | nM | 4.32 | Displacement of [3H]-3MeHis-TRH from TRH receptor in Sprague-Dawley rat cortical... | - |
Data from ChEMBL 36 via Core Engine