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

CHEMBL1939989

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
S=C1NC2=C(CCC2)C(c2ccccc2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1939989
Phase Preclinical
Structure Type MOL
InChI Key ZXIJWZFGSVHPCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.64
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.73
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 C13H14N2S
MW 230.34
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
22222037 10.1016/j.bmcl.2011.12.068 Transient receptor potential cation channel subfamily A member 1 1

Data from ChEMBL 36 via Core Engine