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Compound Detail

CHEMBL96557

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Cn1c(O)nnc1-c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96557
Phase Preclinical
Structure Type MOL
InChI Key RGXRZHGPTUWEOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.25
ALogP
5
HBA
1
HBD
50.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7N3OS
MW 181.22
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -2.11

Literature References

PubMed DOI Target Context # Activities
2170646 10.1021/jm00172a015 Mus musculus 1
2170646 10.1021/jm00172a015 GABA-A receptor; anion channel 1
2170646 10.1021/jm00172a015 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine