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Compound Detail

CHEMBL357117

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

Basic Information

ChEMBL ID CHEMBL357117
Phase Preclinical
Structure Type MOL
InChI Key CRTRBDYHLPNDJP-UONOGXRCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.50
ALogP
4
HBA
2
HBD
94.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30N4O3
MW 338.45
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -1.03

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