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Compound Detail

CHEMBL575522

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CCCCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575522
Phase Preclinical
Structure Type MOL
InChI Key JQJZBTMMOWWNFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
4.83
ALogP
4
HBA
0
HBD
59.8
PSA (Ų)
0.50
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 C23H24ClNO4
MW 413.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
19810674 10.1021/jm9010127 Amine oxidase [flavin-containing] B 1
19810674 10.1021/jm9010127 Amine oxidase [flavin-containing] A 1
19810674 10.1021/jm9010127 Unchecked 1

Data from ChEMBL 36 via Core Engine