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

CHEMBL3613992

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(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613992
Phase Preclinical
Structure Type MOL
InChI Key NURSUPKKVBTPQG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
3.13
ALogP
6
HBA
2
HBD
127.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O6S
MW 455.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
26314925 10.1016/j.bmc.2015.07.060 Phosphatidylcholine:ceramide cholinephosphotransferase 1 1

Data from ChEMBL 36 via Core Engine