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Compound Detail

CHEMBL216852

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CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216852
Phase Preclinical
Structure Type MOL
InChI Key RVHUMFJSCJBNGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

632.0
MW (Da)
5.80
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20Br4O4
MW 631.98
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
17149866 10.1021/jm060713d Androgen receptor 2
23643898 10.1016/j.bmc.2013.04.012 Unchecked 1

Data from ChEMBL 36 via Core Engine