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Compound Detail

CHEMBL197498

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CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197498
Phase Preclinical
Structure Type MOL
InChI Key UADNMMTUONBPLW-IBGZPJMESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.43
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O3
MW 379.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.73

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