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Compound Detail

CHEMBL2324216

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N=C(N)NCCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2324216
Phase Preclinical
Structure Type MOL
InChI Key QSBNBKADDGUXQE-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
0.52
ALogP
5
HBA
7
HBD
183.4
PSA (Ų)
0.08
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N6O4
MW 442.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.15

Literature References

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

Data from ChEMBL 36 via Core Engine