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Compound Detail

CHEMBL5198821

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O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(OCc2cccc(Cl)c2)cc1Oc1cc(=O)oc2c1ccc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5198821
Phase Preclinical
Structure Type MOL
InChI Key ZFYXSWFEKLCBTH-GJZUVCINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

606.5
MW (Da)
6.64
ALogP
7
HBA
2
HBD
109.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H25Cl2NO7
MW 606.46
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.29

Literature References

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

Data from ChEMBL 36 via Core Engine