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Compound Detail

CHEMBL210076

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O=C1CCc2ccc(cc2)Oc2cc(cc(Br)c2O)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210076
Phase Preclinical
Structure Type MOL
InChI Key ZDPNXGGQOSNLLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.2
MW (Da)
3.55
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16BrNO3
MW 362.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.02

Literature References

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

Data from ChEMBL 36 via Core Engine