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Compound Detail

CHEMBL423516

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Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423516
Phase Preclinical
Structure Type MOL
InChI Key FSLGJEYQQVIRPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.96
ALogP
7
HBA
2
HBD
123.5
PSA (Ų)
0.61
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 C16H18N4O5S
MW 378.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.24

Literature References

PubMed DOI Target Context # Activities
14592495 10.1016/j.bmcl.2003.08.054 Proto-oncogene tyrosine-protein kinase LCK 1

Data from ChEMBL 36 via Core Engine