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

CHEMBL3105164

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
NCCOCCOCCOCCOCCOCCOCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105164
Phase Preclinical
Structure Type MOL
InChI Key SEQWGYTZRGAXPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

687.9
MW (Da)
3.41
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.10
QED
1
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H49N3O9S
MW 687.86
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
24387866 10.1016/j.bmc.2013.12.028 NON-PROTEIN TARGET 2
24387866 10.1016/j.bmc.2013.12.028 Unchecked 1

Data from ChEMBL 36 via Core Engine