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Compound Detail

CHEMBL78410

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CNc1ccc(-c2cn3cc(C)ccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78410
Phase Preclinical
Structure Type MOL
InChI Key BZCLHXUEJWOHES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.35
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.74
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 C15H15N3
MW 237.31
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
12519062 10.1021/jm020351j Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine