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

CHEMBL441331

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
C=CCN(CC=C)C1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441331
Phase Preclinical
Structure Type MOL
InChI Key ICPOJMTVQMOION-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
2.34
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.85
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 C16H19N3O
MW 269.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
1348089 10.1021/jm00084a013 D(2) dopamine receptor 1
1348089 10.1021/jm00084a013 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine