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

CHEMBL200007

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)N1CCC[C@H]1C(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200007
Phase Preclinical
Structure Type MOL
InChI Key YXVFWKGVALYAGR-VIFPVBQESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.03
ALogP
4
HBA
1
HBD
82.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N3O3
MW 253.30
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -1.51

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
26985300 10.1021/acsmedchemlett.5b00474 Cathepsin B 1
27890381 10.1016/j.bmcl.2016.11.036 Unchecked 1

Data from ChEMBL 36 via Core Engine