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Compound Detail

CHEMBL5429864

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COc1ccc2nccc(OC[C@H]3CC[C@H](NC(=O)c4ccc(I)c(F)c4)CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429864
Phase Preclinical
Structure Type MOL
InChI Key GWBWGFSNCTYQQI-KOMQPUFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

535.4
MW (Da)
4.75
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23FIN3O3
MW 535.36
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
36753879 10.1016/j.ejmech.2023.115160 Unchecked 4
36753879 10.1016/j.ejmech.2023.115160 Escherichia coli 4
36753879 10.1016/j.ejmech.2023.115160 Staphylococcus aureus 4
36753879 10.1016/j.ejmech.2023.115160 DNA gyrase 2
36753879 10.1016/j.ejmech.2023.115160 Topoisomerase IV 1
36753879 10.1016/j.ejmech.2023.115160 DNA topoisomerase 2-alpha 1
36753879 10.1016/j.ejmech.2023.115160 Voltage-gated inwardly rectifying potassium channel KCNH2 1
36753879 10.1016/j.ejmech.2023.115160 HepG2 1
36753879 10.1016/j.ejmech.2023.115160 Klebsiella pneumoniae 1
36753879 10.1016/j.ejmech.2023.115160 Pseudomonas aeruginosa 1
36753879 10.1016/j.ejmech.2023.115160 Enterococcus faecalis 1
36753879 10.1016/j.ejmech.2023.115160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine