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Compound Detail

CHEMBL1208066

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O=P(O)(O)C(CCCc1cccc(Oc2ccc(-c3ccco3)cc2)c1)S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208066
Phase Preclinical
Structure Type MOL
InChI Key LWPTUYFIMMGMEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
4.45
ALogP
5
HBA
3
HBD
134.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21O8PS
MW 452.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.29

Data from ChEMBL 36 via Core Engine