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Compound Detail

CHEMBL408043

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O=C1NC(=S)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408043
Phase Preclinical
Structure Type MOL
InChI Key GJWLCESUIOEATR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
0.51
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7N3O4S
MW 277.26
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
18343108 10.1016/j.bmcl.2008.02.066 Unchecked 1
18343108 10.1016/j.bmcl.2008.02.066 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine