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

CHEMBL381102

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=C1CCCC(c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381102
Phase Preclinical
Structure Type MOL
InChI Key ZUOCDTAEBOQCSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
2.45
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12O2
MW 176.21
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.20

Literature References

PubMed DOI Target Context # Activities
16420061 10.1021/jm050846j D(1A) dopamine receptor 2
16420061 10.1021/jm050846j D(2) dopamine receptor 2
16420061 10.1021/jm050846j D(1B) dopamine receptor 2
16420061 10.1021/jm050846j D(4) dopamine receptor 1
16420061 10.1021/jm050846j D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine