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

CHEMBL1165243

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
CC1(C)CCC[C@]2(C)[C@H]3C(=O)c4c(cccc4C(=O)O)O[C@@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165243
Phase Preclinical
Structure Type MOL
InChI Key BRJRCUMHFKMNEZ-XSLZUNGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.96
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H28O4
MW 356.46
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.12

Literature References

PubMed DOI Target Context # Activities
19848434 10.1021/np900465e Polyunsaturated fatty acid lipoxygenase ALOX12 1
19848434 10.1021/np900465e Polyunsaturated fatty acid lipoxygenase ALOX15 1
19848434 10.1021/np900465e Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine