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

CHEMBL355401

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
CCCc1c(OCCCOc2ccc(C(=O)N3CCCC3)c(OC)c2CCC)ccc2c1OC(C(=O)O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355401
Phase Preclinical
Structure Type MOL
InChI Key POSHDLOOHKRLEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
5.46
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.34
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 C31H41NO7
MW 539.67
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80853-2 Leukotriene B4 receptor 1 1
- 10.1016/S0960-894X(01)80853-2 Homo sapiens 1

Data from ChEMBL 36 via Core Engine