Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL381659

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381659
Phase Preclinical
Structure Type MOL
InChI Key ZBNPMOCJFPOVIC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.16
ALogP
4
HBA
2
HBD
94.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O3
MW 304.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.02

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
16302809 10.1021/jm050686b Papain 1
16302809 10.1021/jm050686b Procathepsin L 1
16302809 10.1021/jm050686b Cathepsin S 1
16302809 10.1021/jm050686b Cathepsin K 1
27890381 10.1016/j.bmcl.2016.11.036 Unchecked 1

Data from ChEMBL 36 via Core Engine