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Compound Detail

CHEMBL1208006

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CC(C)(C)c1ccc(Oc2cccc(CCCC(P(=O)(O)O)S(=O)(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208006
Phase Preclinical
Structure Type MOL
InChI Key VWAIVAJKCICCON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.49
ALogP
4
HBA
3
HBD
121.1
PSA (Ų)
0.41
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 C20H27O7PS
MW 442.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine