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Compound Detail

CHEMBL3746217

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Cl.NCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746217
Phase Preclinical
Structure Type MOL
InChI Key VMKYZLAPWGNCSW-UHFFFAOYSA-N
Parent Compound CHEMBL3747956
Active Moiety CHEMBL3747956
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

319.2
MW (Da)
4.50
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17Cl3N2
MW 355.70
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26588190 10.1021/acs.jmedchem.5b01482 Unchecked 2
26588190 10.1021/acs.jmedchem.5b01482 Staphylococcus aureus 2
26588190 10.1021/acs.jmedchem.5b01482 HEK293 1
26588190 10.1021/acs.jmedchem.5b01482 Enterococcus faecium 1
26588190 10.1021/acs.jmedchem.5b01482 Escherichia coli 1

Data from ChEMBL 36 via Core Engine