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

CHEMBL326871

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
CCCN1C(S)=NC(C)=C(C(=O)OC2CCN(Cc3ccccc3)CC2)C1c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326871
Phase Preclinical
Structure Type MOL
InChI Key SOGSHTIKPQOWRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

531.6
MW (Da)
6.24
ALogP
5
HBA
1
HBD
45.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32F3N3O2S
MW 531.64
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
1387168 10.1021/jm00095a023 Oryctolagus cuniculus 1
1387168 10.1021/jm00095a023 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine