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Compound Detail

CHEMBL248970

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CCCN1CCOC(c2cc(O)cc(C#N)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248970
Phase Preclinical
Structure Type MOL
InChI Key JQYNCOPZIHLBIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.05
ALogP
4
HBA
1
HBD
56.5
PSA (Ų)
0.89
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 C14H18N2O2
MW 246.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine