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

CHEMBL237018

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
CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237018
Phase Preclinical
Structure Type MOL
InChI Key AAASTTXAYJCATC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

533.7
MW (Da)
6.01
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O4S
MW 533.69
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
17656086 10.1016/j.bmcl.2007.07.011 Polyunsaturated fatty acid lipoxygenase ALOX15 1

Data from ChEMBL 36 via Core Engine