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Compound Detail

CHEMBL4084804

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NCc1cc(-c2cccnc2)ncc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084804
Phase Preclinical
Structure Type MOL
InChI Key PSZZXBDPDMURTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.2
MW (Da)
2.62
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.89
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 C12H10F3N3
MW 253.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
28435530 10.1021/acsmedchemlett.7b00014 Lysyl oxidase homolog 2 1

Data from ChEMBL 36 via Core Engine