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

CHEMBL473093

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
Br.CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473093
Phase Preclinical
Structure Type MOL
InChI Key YILFCTILVIWLHK-UHFFFAOYSA-N
Parent Compound CHEMBL1186627
Active Moiety CHEMBL1186627
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
3.78
ALogP
5
HBA
0
HBD
22.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35BrN4S
MW 467.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.58

Activity Summary

Kd 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
 Kd 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Kd = 5.37 nM 8.27 Antagonist activity at histamine H3 receptor in guinea pig jejunum assessed as e... 18990469

Literature References

PubMed DOI Target Context # Activities
18990469 10.1016/j.ejmech.2008.09.019 Histamine H3 receptor 1
18990469 10.1016/j.ejmech.2008.09.019 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine