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Compound Detail

CHEMBL1289857

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CC(NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(=O)N(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1289857
Phase Preclinical
Structure Type MOL
InChI Key LWCKGFHIVSAQMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

457.8
MW (Da)
3.11
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClF3N3O4
MW 457.84
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
21030256 10.1016/j.bmcl.2010.10.012 Cathepsin S 1
21030256 10.1016/j.bmcl.2010.10.012 Cathepsin K 1
21030256 10.1016/j.bmcl.2010.10.012 Cathepsin B 1
21030256 10.1016/j.bmcl.2010.10.012 Procathepsin L 1
21030256 10.1016/j.bmcl.2010.10.012 Cathepsin L2 1
21030256 10.1016/j.bmcl.2010.10.012 Unchecked 1

Data from ChEMBL 36 via Core Engine