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Compound Detail

CHEMBL3746438

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Cl.NCCc1cn(Cc2cccc(Cl)c2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746438
Phase Preclinical
Structure Type MOL
InChI Key JGTGHDLFOOEXJI-UHFFFAOYSA-N
Parent Compound CHEMBL3747849
Active Moiety CHEMBL3747849
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

284.8
MW (Da)
3.84
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.78
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 C17H18Cl2N2
MW 321.25
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.39

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 Enterococcus faecium 1
26588190 10.1021/acs.jmedchem.5b01482 Escherichia coli 1

Data from ChEMBL 36 via Core Engine