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Compound Detail

CHEMBL1933452

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Nc1nc(Cc2ccccc2)cn1Cc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933452
Phase Preclinical
Structure Type MOL
InChI Key LDCCDCSJHCDTPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.8
MW (Da)
3.76
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3
MW 297.79
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
22209418 10.1016/j.ejmech.2011.12.016 Beta-secretase 1 2

Data from ChEMBL 36 via Core Engine