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Compound Detail

CHEMBL1170808

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CC(=O)c1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1170808
Phase Preclinical
Structure Type MOL
InChI Key MJDZZDSZRFXPRN-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.01
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O5
MW 298.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
20558060 10.1016/j.bmcl.2010.05.091 Trypanosoma brucei brucei 1
20558060 10.1016/j.bmcl.2010.05.091 HEK293 1

Data from ChEMBL 36 via Core Engine