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Compound Detail

CHEMBL1277639

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Cc1ccc(Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277639
Phase Preclinical
Structure Type MOL
InChI Key CTOGFUZRYLCBRJ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.47
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.56
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 C16H14N4O2S
MW 326.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.46

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20828889 10.1016/j.ejmech.2010.08.034 Urease 2
20828889 10.1016/j.ejmech.2010.08.034 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine