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Compound Detail

CHEMBL5184509

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O=C1CCCN1CCCNC1=Nc2ccccc2Oc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184509
Phase Preclinical
Structure Type MOL
InChI Key RCJSOGFTJKETJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.9
MW (Da)
4.13
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN3O2
MW 369.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
36439974 10.1039/d2md00182a Salmonella typhimurium 1
36439974 10.1039/d2md00182a RAW264.7 1

Data from ChEMBL 36 via Core Engine