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

CHEMBL3357031

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
CCCS(=O)(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357031
Phase Preclinical
Structure Type MOL
InChI Key MQRYPNWHTGJJKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.0
MW (Da)
4.47
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN2O2S
MW 416.97
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
25318072 10.1021/jm501086v Sodium-dependent neutral amino acid transporter B(0)AT2 1

Data from ChEMBL 36 via Core Engine