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Compound Detail

CHEMBL3218475

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N#C[C@@H]1CCCN1C(=O)C1(NC(=O)OCc2ccccc2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218475
Phase Preclinical
Structure Type MOL
InChI Key NVPBGSSWCATGCC-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
82.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O3
MW 355.44
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.69

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