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

CHEMBL2047266

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
CN1CCN(C(=O)c2cc3c(O)cccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL2047266
Phase Preclinical
Structure Type MOL
InChI Key HWSNRQYXYQTSAP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
1.26
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O2
MW 259.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.88

Activity Summary

Ki 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 6.8 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22749391 10.1016/j.ejmech.2012.06.016 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine