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

CHEMBL17390

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
COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL17390
Phase Preclinical
Structure Type MOL
InChI Key WGWRMJSTSKBWJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
5.31
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35NO4
MW 473.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
 IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor IC50 = 42.0 nM 7.38 Inhibitory activity against Tritiated [3H]- mepyramine binding to histamine H1 r... 2562852

Literature References

PubMed DOI Target Context # Activities
2562852 10.1021/jm00121a022 Rattus norvegicus 3
2562852 10.1021/jm00121a022 Cavia porcellus 3
2562852 10.1021/jm00121a022 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine