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Compound Detail

CHEMBL4280199

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O=C1C(=O)N(CCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280199
Phase Preclinical
Structure Type MOL
InChI Key JFFIHEGMOWVDHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.01
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4
MW 376.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
29449910 10.1039/C7MD00434F Trichomonas vaginalis 1
29449910 10.1039/C7MD00434F Giardia intestinalis 1
29449910 10.1039/C7MD00434F Entamoeba histolytica 1
29449910 10.1039/C7MD00434F Limosilactobacillus reuteri 1
29449910 10.1039/C7MD00434F Lactobacillus acidophilus 1
29449910 10.1039/C7MD00434F Lacticaseibacillus rhamnosus 1
29449910 10.1039/C7MD00434F Escherichia coli 1
36307033 10.1016/j.bmcl.2022.129037 Acetylcholinesterase 1
36307033 10.1016/j.bmcl.2022.129037 Cholinesterase 1

Data from ChEMBL 36 via Core Engine