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

CHEMBL543178

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
CN1C(=O)CN2Cc3c(sc4c3CCCC4)N=C21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543178
Phase Preclinical
Structure Type MOL
InChI Key XFJYFLJFTMXWGZ-UHFFFAOYSA-N
Parent Compound CHEMBL1192002
Active Moiety CHEMBL1192002
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
1.90
ALogP
4
HBA
0
HBD
35.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16ClN3OS
MW 297.81
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
7265124 10.1021/jm00136a005 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine