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Compound Detail

CHEMBL4556318

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C[C@@H]1Cc2c(C(=O)O)ccc(O)c2C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556318
Phase Preclinical
Structure Type MOL
InChI Key QRLBIKRXEQOMSF-RXMQYKEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.19
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H10O5
MW 222.20
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.48

Literature References

PubMed DOI Target Context # Activities
30975503 10.1016/j.bmc.2019.03.060 Amine oxidase [flavin-containing] A 1
30975503 10.1016/j.bmc.2019.03.060 Amine oxidase [flavin-containing] B 1
30975503 10.1016/j.bmc.2019.03.060 Unchecked 1

Data from ChEMBL 36 via Core Engine