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Compound Detail

CHEMBL447034

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c1ccc(NCCNc2ncnc3[nH]cnc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447034
Phase Preclinical
Structure Type MOL
InChI Key DBWZXPRHBNGWOI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
1.88
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6
MW 254.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19150600 10.1016/j.bmc.2008.12.050 Staphylococcus aureus 3
25462277 10.1016/j.ejmech.2014.10.080 NON-PROTEIN TARGET 2
19150600 10.1016/j.bmc.2008.12.050 Escherichia coli 1
19150600 10.1016/j.bmc.2008.12.050 Bacillus subtilis 1
19150600 10.1016/j.bmc.2008.12.050 Candida albicans 1
25462277 10.1016/j.ejmech.2014.10.080 T47D 1

Data from ChEMBL 36 via Core Engine