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Compound Detail

CHEMBL3358481

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O=C(NCCCCn1ccnc1[N+](=O)[O-])c1ccsc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358481
Phase Preclinical
Structure Type MOL
InChI Key GEEXXHGPIYKSPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.06
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4O3S
MW 294.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.10

Literature References

PubMed DOI Target Context # Activities
25240098 10.1016/j.ejmech.2014.09.045 Trypanosoma cruzi 2
25240098 10.1016/j.ejmech.2014.09.045 L6 1
25240098 10.1016/j.ejmech.2014.09.045 Trypanosoma brucei rhodesiense 1
25240098 10.1016/j.ejmech.2014.09.045 Unchecked 1
25240098 10.1016/j.ejmech.2014.09.045 Leishmania donovani 1

Data from ChEMBL 36 via Core Engine