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

CHEMBL164065

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)Nc1cccc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164065
Phase Preclinical
Structure Type MOL
InChI Key BFGUKMAGBVXKJK-HMTLIYDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

518.7
MW (Da)
2.24
ALogP
8
HBA
4
HBD
127.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N4O5S2
MW 518.66
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
11277513 10.1016/s0960-894x(01)00063-4 Beta-2 adrenergic receptor 2
11277513 10.1016/s0960-894x(01)00063-4 Beta-1 adrenergic receptor 2
11277513 10.1016/s0960-894x(01)00063-4 Beta-3 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine