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Compound Detail

CHEMBL200005

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CC(C)(C)OC(=O)NCC(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200005
Phase Preclinical
Structure Type MOL
InChI Key XPPHLZBEBMODOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
0.15
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N3O3
MW 213.24
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -1.68

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