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Compound Detail

CHEMBL230129

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O=c1oc2cc(O)ccc2c2[nH]c3cc(O)ccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230129
Phase Preclinical
Structure Type MOL
InChI Key BUSSJLNPECLYJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
2.84
ALogP
4
HBA
3
HBD
86.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9NO4
MW 267.24
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
17591441 10.1016/j.bmcl.2007.05.104 HUVEC 1

Data from ChEMBL 36 via Core Engine