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

CHEMBL326736

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
c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL326736
Phase Preclinical
Structure Type MOL
InChI Key ALTJKNQLXJJFCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
3.14
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3
MW 221.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 5.82 5.82 1527.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20943396 10.1016/j.bmc.2010.09.029 Mus musculus 23
18818069 10.1016/j.bmcl.2008.09.036 Sodium channel protein type 2 subunit alpha 2
14505677 10.1016/s0960-894x(03)00747-9 Neuropeptide Y receptor type 5 1
26071857 10.1016/j.ejmech.2015.05.048 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine