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Compound Detail

CHEMBL2069146

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COc1cc(/C=C\Cc2cc(OP(=O)(O)O)c3ccsc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2069146
Phase Preclinical
Structure Type MOL
InChI Key SCCDLMMZYCGUSJ-PLNGDYQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
4.65
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.50
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 C20H21O7PS
MW 436.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine