Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL421429

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Sc1c2ncc3ccccc3c2nn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421429
Phase Preclinical
Structure Type MOL
InChI Key AWRFPVVIIGWBAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.86
ALogP
4
HBA
1
HBD
30.7
PSA (Ų)
0.54
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 C16H11N3S
MW 277.35
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
1310121 10.1021/jm00080a024 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine