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Compound Detail

CHEMBL2046847

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O=C(NN1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046847
Phase Preclinical
Structure Type MOL
InChI Key HLKSWVPATCEKHF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.7
MW (Da)
2.38
ALogP
4
HBA
1
HBD
75.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClN3O3
MW 283.72
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -2.01

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