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

CHEMBL34890

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(OCCCCCOc2ccccc2C(SCCC(=O)O)SCCC(=O)O)ccc(C(C)=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34890
Phase Preclinical
Structure Type MOL
InChI Key JFAPQDFYYCZVAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

578.8
MW (Da)
6.59
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38O8S2
MW 578.75
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.04

Activity Summary

Ki 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
 Ki 5.5 5.5 3149.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor Ki = 3149.0 nM 5.5 Compound is evaluated for its ability to inhibit [3H]LTD4 binding to Cysteinyl l... 3016267

Literature References

PubMed DOI Target Context # Activities
3016267 10.1021/jm00158a021 Cysteinyl leukotriene receptor 2

Data from ChEMBL 36 via Core Engine