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Compound Detail

CHEMBL2324208

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N=C(N)NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O

Basic Information

ChEMBL ID CHEMBL2324208
Phase Preclinical
Structure Type MOL
InChI Key ISWGHAHDEZLEFR-SJORKVTESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
0.13
ALogP
5
HBA
7
HBD
183.4
PSA (Ų)
0.09
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N6O4
MW 428.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.14

Activity Summary

Ki 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-degrading enzyme
CHEMBL1293287
Ki 5.94 5.94 1150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-degrading enzyme Ki = 1150.0 nM 5.94 Inhibition of human recombinant IDE-mediated FRET1 degradation 23437776

Literature References

PubMed DOI Target Context # Activities
23437776 10.1021/jm301280p Insulin-degrading enzyme 1

Data from ChEMBL 36 via Core Engine