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Compound Detail

CHEMBL3794022

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O=[N+]([O-])c1cccc(NC(=S)Nc2nc3c(s2)CCCC3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794022
Phase Preclinical
Structure Type MOL
InChI Key GMVRHPJQOAWBSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.74
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.51
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 C14H14N4O2S2
MW 334.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.80

Literature References

PubMed DOI Target Context # Activities
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine