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Compound Detail

CHEMBL5192053

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O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)cc1Oc1cc(=O)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5192053
Phase Preclinical
Structure Type MOL
InChI Key FFZPPFLMVSZYPK-KNQAVFIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.0
MW (Da)
4.75
ALogP
9
HBA
2
HBD
152.6
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23ClN2O9
MW 566.95
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.59

Literature References

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

Data from ChEMBL 36 via Core Engine