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Compound Detail

CHEMBL2011272

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Fc1cccc(Cl)c1CN1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011272
Phase Preclinical
Structure Type MOL
InChI Key PBJVZHBDDDMHIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.7
MW (Da)
1.88
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14ClFN2
MW 228.70
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
22165820 10.1021/jm201441k Beta-secretase 1 2

Data from ChEMBL 36 via Core Engine