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Compound Detail

CHEMBL314145

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NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314145
Phase Preclinical
Structure Type BOTH
InChI Key PUSBMAFTPFJNNF-GUBZILKMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
-2.51
ALogP
5
HBA
4
HBD
164.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23N5O5
MW 353.38
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyrotropin releasing hormone degrading enzyme
CHEMBL3988623
 Ki 4.16 4.16 69000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyrotropin releasing hormone degrading enzyme Ki = 69000.0 nM 4.16 Inhibition of pig brain TRH-DE using Glp-His-ProAMC as substrate by DPP-4-based ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00478-7 Mus musculus 4

Data from ChEMBL 36 via Core Engine