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Compound Detail

CHEMBL5207297

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O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1Oc1cc(=O)oc2c1ccc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207297
Phase Preclinical
Structure Type MOL
InChI Key SVHUHTAQNHIXOB-KCWPFWIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

582.6
MW (Da)
5.25
ALogP
9
HBA
2
HBD
152.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H26N2O9
MW 582.57
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
34954618 10.1016/j.bmc.2021.116579 Unchecked 1

Data from ChEMBL 36 via Core Engine