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

CHEMBL5417897

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(CCNC[C@H](O)COc2ccc3ccc(=O)oc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417897
Phase Preclinical
Structure Type MOL
InChI Key BRDPHINFPGIYCP-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
1.77
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO6S
MW 417.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
36495629 10.1016/j.ejmech.2022.114961 Beta-1 adrenergic receptor 1
36495629 10.1016/j.ejmech.2022.114961 Beta-2 adrenergic receptor 1
36495629 10.1016/j.ejmech.2022.114961 Beta-3 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine