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Compound Detail

CHEMBL3139843

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C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139843
Phase Preclinical
Structure Type MOL
InChI Key UFDYWOSPSFLELZ-UAPYVXQJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
3.44
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23O2S+
MW 315.46
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.35

Data from ChEMBL 36 via Core Engine