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

CHEMBL167474

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)NC)c(OC)c2CC2CC2)ccc2c1OC(C(=O)O)CC2

Basic Information

ChEMBL ID CHEMBL167474
Phase Preclinical
Structure Type MOL
InChI Key SSLKTPMFZMERSJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
4.59
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO7
MW 511.62
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.33

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leukotriene B4 receptor 1
CHEMBL3911
IC50 8.28 8.28 5.3 1
Homo sapiens
CHEMBL372
IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

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