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Compound Detail

CHEMBL5194356

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Cc1ccccc1[N+]1=Cc2c(c3ccccc3n2C)CC1.[Br-]

Basic Information

ChEMBL ID CHEMBL5194356
Phase Preclinical
Structure Type MOL
InChI Key XEWFMYRXWJIBDH-UHFFFAOYSA-M
Parent Compound CHEMBL5222253
Active Moiety CHEMBL5222253
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.81
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 C19H19BrN2
MW 355.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.25

Activity Summary

EC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusarium solani
CHEMBL612506
EC50 5.63 5.63 2350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusarium solani EC50 = 2350.0 nM 5.63 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