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

CHEMBL228028

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
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CO)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228028
Phase Preclinical
Structure Type MOL
InChI Key WXXFOOKYBIZMIY-KAYWLYCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.38
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O5S
MW 516.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17408249 10.1021/jm070055c B1 bradykinin receptor 2

Data from ChEMBL 36 via Core Engine