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Compound Detail

CHEMBL3800487

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COc1ccc(-c2cc3cc(C(=O)O)c(C(=O)O)cc3n2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3800487
Phase Preclinical
Structure Type MOL
InChI Key UVHGVIAUMYHLAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
2.95
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.64
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 C17H13NO6
MW 327.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
27020523 10.1016/j.bmcl.2016.03.060 Amine oxidase [flavin-containing] A 1
27020523 10.1016/j.bmcl.2016.03.060 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine