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Compound Detail

CHEMBL1205853

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CC(C)=Cc1ccc(-c2ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205853
Phase Preclinical
Structure Type MOL
InChI Key RGZAJJXKENRILA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.49
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25O6PS
MW 424.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine