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Compound Detail

CHEMBL5185292

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Cn1c2c(c3ccccc31)CC[N+](c1ccc(F)cc1)=C2.[Br-]

Basic Information

ChEMBL ID CHEMBL5185292
Phase Preclinical
Structure Type MOL
InChI Key KXLZOIKZSYTIIF-UHFFFAOYSA-M
Parent Compound CHEMBL5222037
Active Moiety CHEMBL5222037
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.64
ALogP
1
HBA
0
HBD
7.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16BrFN2
MW 359.24
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.25

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusarium solani
CHEMBL612506
EC50 5.66 5.66 2180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusarium solani EC50 = 2180.0 nM 5.66 Antifungal activity against Fusarium solani 34954591

Literature References

PubMed DOI Target Context # Activities
34954591 10.1016/j.ejmech.2021.114057 Fusarium solani 1

Data from ChEMBL 36 via Core Engine