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

CHEMBL333505

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
CCN(CC)c1ccncc1-c1c(Cl)ncn1-c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333505
Phase Preclinical
Structure Type MOL
InChI Key ISAYKCYNWCTUIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
3.84
ALogP
6
HBA
0
HBD
68.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN4O2S
MW 404.92
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
12877584 10.1021/jm030765s Prostaglandin G/H synthase 2 2
12877584 10.1021/jm030765s Prostaglandin G/H synthase 1 1
12877584 10.1021/jm030765s Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine