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Compound Detail

CHEMBL3228069

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O=C(O)c1ccc(OCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3228069
Phase Preclinical
Structure Type MOL
InChI Key QMHUMYQZAGKFBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.3
MW (Da)
2.95
ALogP
8
HBA
2
HBD
149.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO9
MW 401.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
84871 10.1021/jm00188a007 Ileum 1

Data from ChEMBL 36 via Core Engine