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Compound Detail

CHEMBL103684

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O=C(O)c1cc(-c2ccc3cc(O)c(O)cc3c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103684
Phase Preclinical
Structure Type MOL
InChI Key KDDWCZCIYASQHC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.32
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12O5
MW 296.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.30

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8411019 10.1021/jm00072a023 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine