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

CHEMBL56384

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(c2cc(-n3ccnc3)ncn2)CC1

Basic Information

ChEMBL ID CHEMBL56384
Phase Preclinical
Structure Type MOL
InChI Key IYZHTMUYJMWCCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
0.41
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.77
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 C12H16N6
MW 244.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.26

Activity Summary

Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL322
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10821703 10.1021/jm9911332 5-hydroxytryptamine receptor 2A 2

Data from ChEMBL 36 via Core Engine