Compound Detail
CHEMBL3915933
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COc1ccc(C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCC(=O)N2)cc1O
Basic Information
| ChEMBL ID | CHEMBL3915933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPWDIBXJGWBMJA-IHRRRGAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
-1.71
ALogP
8
HBA
5
HBD
197.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme CHEMBL3988623 | Ki | 5.76 | 5.76 | 1720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin releasing hormone degrading enzyme | Ki | = | 1720.0 | nM | 5.76 | Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... | - |
Data from ChEMBL 36 via Core Engine