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

CHEMBL2059309

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
O=C1CCc2ccncc2N1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2059309
Phase Preclinical
Structure Type MOL
InChI Key ZPKJXRKLWNWXHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
2.73
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O2
MW 405.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
22677319 10.1016/j.bmcl.2012.05.048 Muscarinic acetylcholine receptor M1 2
22677319 10.1016/j.bmcl.2012.05.048 Liver microsomes 1
22677319 10.1016/j.bmcl.2012.05.048 D(2) dopamine receptor 1
22677319 10.1016/j.bmcl.2012.05.048 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine