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Compound Detail

CHEMBL200150

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

Basic Information

ChEMBL ID CHEMBL200150
Phase Preclinical
Structure Type MOL
InChI Key GHEXEERTZYTTDD-AWEZNQCLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
1.87
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.82
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 C17H22N2O3
MW 302.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.89

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

Data from ChEMBL 36 via Core Engine