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

CHEMBL317493

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
CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL317493
Phase Preclinical
Structure Type MOL
InChI Key YOILXOMTHPUMRG-GXTWGEPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
1.94
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO3
MW 249.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
10956195 10.1021/jm0000113 D(2) dopamine receptor 2
10956195 10.1021/jm0000113 D(3) dopamine receptor 1
10956195 10.1021/jm0000113 D(4) dopamine receptor 1
33062179 10.1021/acsmedchemlett.9b00660 D(2) dopamine receptor 1
33062179 10.1021/acsmedchemlett.9b00660 D(3) dopamine receptor 1
33062179 10.1021/acsmedchemlett.9b00660 D(1A) dopamine receptor 1
33062179 10.1021/acsmedchemlett.9b00660 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine