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Compound Detail

CHEMBL200743

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CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200743
Phase Preclinical
Structure Type MOL
InChI Key KUTGRNFRYAFFRV-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.10
ALogP
4
HBA
1
HBD
82.4
PSA (Ų)
0.84
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 C17H23N3O3
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.09

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

Data from ChEMBL 36 via Core Engine