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Compound Detail

CHEMBL5498600

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O=P(O)(O)C(CCCc1ccc(-c2ccc(Br)cc2)cc1)S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498600
Phase Preclinical
Structure Type MOL
InChI Key XSBIMOYLCQHJDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.3
MW (Da)
3.83
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BrO6PS
MW 449.26
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine