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Compound Detail

CHEMBL5200927

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CN(C)c1ccc(/C=C/c2cc(N3CCCCC3)c3ccccc3[n+]2C)cc1.[I-]

Basic Information

ChEMBL ID CHEMBL5200927
Phase Preclinical
Structure Type MOL
InChI Key KFWZCKIYOHMHTK-UHFFFAOYSA-M
Parent Compound CHEMBL5222590
Active Moiety CHEMBL5222590
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
4.89
ALogP
2
HBA
0
HBD
10.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30IN3
MW 499.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.50

Activity Summary

Kd 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division protein FtsZ
CHEMBL5096
Kd 5.6 5.6 2490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35421657 10.1016/j.ejmech.2022.114360 Staphylococcus aureus 11
35421657 10.1016/j.ejmech.2022.114360 Cell division protein FtsZ 8
35421657 10.1016/j.ejmech.2022.114360 Unchecked 4
35421657 10.1016/j.ejmech.2022.114360 Enterococcus faecium 4
35421657 10.1016/j.ejmech.2022.114360 Bacillus subtilis 3
35421657 10.1016/j.ejmech.2022.114360 Escherichia coli 3
35421657 10.1016/j.ejmech.2022.114360 Staphylococcus epidermidis 1
35421657 10.1016/j.ejmech.2022.114360 Enterococcus faecalis 1
35421657 10.1016/j.ejmech.2022.114360 Acinetobacter baumannii 1
35421657 10.1016/j.ejmech.2022.114360 Pseudomonas aeruginosa 1
35421657 10.1016/j.ejmech.2022.114360 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine