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

CHEMBL284528

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
O=C(O)C(=O)O.O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CC1

Basic Information

ChEMBL ID CHEMBL284528
Phase Preclinical
Structure Type MOL
InChI Key KVQFRKOHONLFRJ-UHFFFAOYSA-N
Parent Compound CHEMBL1183202
Active Moiety CHEMBL1183202
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
4.84
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO6
MW 439.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 7.18 7.18 66.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12672253 10.1021/jm021084k Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine