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Compound Detail

CHEMBL2046845

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O=C(Cc1cc([N+](=O)[O-])ccc1F)NN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046845
Phase Preclinical
Structure Type MOL
InChI Key BSQCIJQWQBJSLG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
1.79
ALogP
4
HBA
1
HBD
75.5
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 C13H16FN3O3
MW 281.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.95

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22738640 10.1016/j.bmcl.2012.06.004 Unchecked 1
22738640 10.1016/j.bmcl.2012.06.004 L6 1
22738640 10.1016/j.bmcl.2012.06.004 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine