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Compound Detail

CHEMBL398197

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NC1CCN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCC(N)CC3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398197
Phase Preclinical
Structure Type MOL
InChI Key XHMAYIHHCDOVGZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
2.78
ALogP
8
HBA
3
HBD
109.2
PSA (Ų)
0.67
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 C19H26Cl2N8
MW 437.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17188860 10.1016/j.bmcl.2006.12.024 Escherichia coli 1

Data from ChEMBL 36 via Core Engine