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Compound Detail

CHEMBL307350

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CO[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307350
Phase Preclinical
Structure Type MOL
InChI Key AXWKUOJYQVXZAX-YOZPONIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

600.7
MW (Da)
6.89
ALogP
9
HBA
0
HBD
72.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H28O7S2
MW 600.71
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
7783142 10.1021/jm00012a010 GLC4 cell line 1

Data from ChEMBL 36 via Core Engine