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Compound Detail

CHEMBL3792418

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O=C(Nc1nc2ccc(Br)cc2s1)Nc1ccc(C(F)(F)F)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3792418
Phase Preclinical
Structure Type MOL
InChI Key LTCZQJJUCXMJDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.7
MW (Da)
6.38
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8BrClF3N3OS
MW 450.67
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.70

Literature References

PubMed DOI Target Context # Activities
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine