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

CHEMBL2051973

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
CCCN1CC[C@@H]2c3cccc(OC)c3CC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2051973
Phase Preclinical
Structure Type MOL
InChI Key VUKJBNUKLLGULS-HIFRSBDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.4
MW (Da)
3.21
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO
MW 245.37
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
8496900 10.1021/jm00062a001 5-hydroxytryptamine receptor 1A 1
8496900 10.1021/jm00062a001 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine