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Compound Detail

CHEMBL3098863

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CO[C@@H](Cc1ccc(O)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3098863
Phase Preclinical
Structure Type MOL
InChI Key FJUACDARCVZYOJ-VIFPVBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
1.03
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12O4
MW 196.20
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
24360605 10.1016/j.bmcl.2013.12.006 Unchecked 1

Data from ChEMBL 36 via Core Engine