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

CHEMBL259169

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
CCSc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259169
Phase Preclinical
Structure Type MOL
InChI Key NUPSSPXZXIEFPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
5.22
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4S
MW 372.50
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
18314943 10.1021/jm701199p TGF-beta receptor type-1 1
18314943 10.1021/jm701199p NON-PROTEIN TARGET 1
18314943 10.1021/jm701199p NIH3T3 1

Data from ChEMBL 36 via Core Engine