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Compound Detail

CHEMBL298757

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O=C(c1ccccc1)[C@H]1O[C@H]1[C@@H](O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298757
Phase Preclinical
Structure Type MOL
InChI Key PAGMLHJOICPQFI-CWRNSKLLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.37
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.67
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 C16H14O3
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
15027875 10.1021/jm0305319 Homo sapiens 2
15027875 10.1021/jm0305319 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine