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Compound Detail

CHEMBL1205850

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O=P(O)(O)C(CCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205850
Phase Preclinical
Structure Type MOL
InChI Key CQQJCWDSAVORTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
4.73
ALogP
3
HBA
3
HBD
111.9
PSA (Ų)
0.34
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 C22H23O6PS
MW 446.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine