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Compound Detail

CHEMBL2235101

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O=C1OCc2c1c(-c1ccccc1)c1cc3c(cc1c2O)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235101
Phase Preclinical
Structure Type MOL
InChI Key CORVITAFMZRSCF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
3.61
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12O5
MW 320.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.00

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9937-1 HEK293 1
- 10.1007/s00044-011-9937-1 KB 1
- 10.1007/s00044-011-9937-1 SW480 1
- 10.1007/s00044-011-9937-1 A549 1

Data from ChEMBL 36 via Core Engine