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Compound Detail

CHEMBL200006

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N#CCNC(=O)CNC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200006
Phase Preclinical
Structure Type MOL
InChI Key STYZMWDBHMMOCR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
0.55
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.74
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 C12H13N3O3
MW 247.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.42

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