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Compound Detail

CHEMBL3425609

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CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(Br)cc12

Basic Information

ChEMBL ID CHEMBL3425609
Phase Preclinical
Structure Type MOL
InChI Key ATUAGYLIAOIIEB-BJMVGYQFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.8
MW (Da)
5.19
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20BrClN4
MW 431.76
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division protein FtsZ
CHEMBL3999
IC50 4.52 4.52 30000.0 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