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Compound Detail

CHEMBL356588

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C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356588
Phase Preclinical
Structure Type MOL
InChI Key MJBMGEXYVIOJMT-HOCLYGCPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.06
ALogP
4
HBA
2
HBD
94.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4O3
MW 344.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12459015 10.1021/jm020209i Cathepsin S 2

Data from ChEMBL 36 via Core Engine