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Compound Detail

CHEMBL3425706

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CN(C)CCNc1nc(/C=C/c2ccc(N=[N+]=[N-])cc2)nc2cc3ccccc3cc12

Basic Information

ChEMBL ID CHEMBL3425706
Phase Preclinical
Structure Type MOL
InChI Key XLQBUBPXBGVRBW-FMIVXFBMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
5.87
ALogP
5
HBA
1
HBD
89.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N7
MW 409.50
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division protein FtsZ
CHEMBL3999
IC50 4.85 4.85 14000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25815151 10.1021/ml500497s Cell division protein FtsZ 1

Data from ChEMBL 36 via Core Engine