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Compound Detail

CHEMBL136024

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O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136024
Phase Preclinical
Structure Type MOL
InChI Key LYPLMBSZQGCKEL-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.20
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.68
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 C19H18N2O3
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
9784105 10.1021/jm9803065 Procathepsin L 1
9784105 10.1021/jm9803065 Cathepsin B 1

Data from ChEMBL 36 via Core Engine