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Compound Detail

CHEMBL3218474

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CC(C)(NC(=O)OCc1ccccc1)C(=O)NCC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218474
Phase Preclinical
Structure Type MOL
InChI Key KHDVJICAQACTRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.33
ALogP
4
HBA
2
HBD
91.2
PSA (Ų)
0.79
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 C14H17N3O3
MW 275.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00115A Unchecked 3
- 10.1039/C1MD00115A Cathepsin B 2
- 10.1039/C1MD00115A Procathepsin L 2

Data from ChEMBL 36 via Core Engine