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Compound Detail

CHEMBL5498849

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COc1cccc2c1Sc1ccccc1C=C2OP(=O)(O)OC1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498849
Phase Preclinical
Structure Type MOL
InChI Key BSMMJGMVFBQNEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.97
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21O6PS
MW 420.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine