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Compound Detail

CHEMBL2011273

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Fc1cccc(C2NCCc3sccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011273
Phase Preclinical
Structure Type MOL
InChI Key YBCMZWJYPPOTSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
3.12
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12FNS
MW 233.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.34

Literature References

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

Data from ChEMBL 36 via Core Engine