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Compound Detail

CHEMBL2114460

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CCN1CCC[C@@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2114460
Phase Preclinical
Structure Type MOL
InChI Key ARAWZUUSXRTRLM-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.43
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27FN2O3
MW 338.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
1827843 10.1021/jm00109a013 D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine