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Compound Detail

CHEMBL1205852

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CCCCCc1ccc(-c2ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205852
Phase Preclinical
Structure Type MOL
InChI Key DURLQMLIQOQIJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.80
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29O6PS
MW 440.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine