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Compound Detail

CHEMBL5182146

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Clc1ccc2c(c1)C(N1CCCCC1)=Nc1ccccc1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182146
Phase Preclinical
Structure Type MOL
InChI Key PFHGOKFNIVUWMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
5.01
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O
MW 312.80
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.66

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