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Compound Detail

CHEMBL3128148

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CC1(C)OC(=O)c2c1ccnc2NCC(O)COc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3128148
Phase Preclinical
Structure Type MOL
InChI Key JQSCJGCAUMQBNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.48
ALogP
6
HBA
2
HBD
80.7
PSA (Ų)
0.78
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 C18H19FN2O4
MW 346.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
24534487 10.1016/j.bmcl.2014.01.072 Unchecked 3
24534487 10.1016/j.bmcl.2014.01.072 Cathepsin B 1
24534487 10.1016/j.bmcl.2014.01.072 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine