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Compound Detail

CHEMBL380242

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O=C1CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2O)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380242
Phase Preclinical
Structure Type MOL
InChI Key FZPRZWMNCDTIIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.0
MW (Da)
5.08
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.51
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Br3NO3
MW 520.01
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
16854055 10.1021/jm050708u RyR1/FKBP12 1

Data from ChEMBL 36 via Core Engine