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

CHEMBL110462

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
CS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110462
Phase Preclinical
Structure Type MOL
InChI Key NXBBEMFJLQFDJV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
1.83
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O3S
MW 329.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.37

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10956225 10.1021/jm0000719 Prostaglandin G/H synthase 2 1
10956225 10.1021/jm0000719 Prostaglandin G/H synthase 1 1
12383010 10.1021/jm020198t Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine