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Compound Detail

CHEMBL3331589

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O=c1c2ccccc2oc2cc(OCCCCCCBr)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3331589
Phase Preclinical
Structure Type MOL
InChI Key OFJFIWNUAQJOGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.99
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrO4
MW 391.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
25113877 10.1016/j.ejmech.2014.07.076 A549 1
25113877 10.1016/j.ejmech.2014.07.076 MGC-803 1
25113877 10.1016/j.ejmech.2014.07.076 NON-PROTEIN TARGET 1
25113877 10.1016/j.ejmech.2014.07.076 CNE 1

Data from ChEMBL 36 via Core Engine