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

CHEMBL4751650

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
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751650
Phase Preclinical
Structure Type MOL
InChI Key SAWCBAUVKDSTHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
3.96
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O5S
MW 411.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 2 2
31727469 10.1016/j.ejmech.2019.111789 Uracil nucleotide/cysteinyl leukotriene receptor 2
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 4 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 6 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 1 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 12 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 14 1

Data from ChEMBL 36 via Core Engine