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

CHEMBL400988

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
CCCN1CCOC(c2cccc(-c3ncc[nH]3)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400988
Phase Preclinical
Structure Type MOL
InChI Key ASQKPZFQDFQZCR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.86
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3O
MW 271.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(2) dopamine receptor 1
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine