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

CHEMBL271689

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
CC(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271689
Phase Preclinical
Structure Type MOL
InChI Key ZEFFHAAJFSXHDB-UHFFFAOYSA-M
Parent Compound CHEMBL1206418
Active Moiety CHEMBL1206418
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
3.24
ALogP
7
HBA
3
HBD
143.6
PSA (Ų)
0.25
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 C22H15N2NaO6S
MW 458.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
18006312 10.1016/j.bmcl.2007.10.082 P2Y purinoceptor 2 2

Data from ChEMBL 36 via Core Engine