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Compound Detail

CHEMBL174306

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OCC(O)CN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174306
Phase Preclinical
Structure Type MOL
InChI Key GCSNYHBLOFJHDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
2.51
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F2N2O2
MW 388.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
6134833 10.1021/jm00361a002 Rattus norvegicus 2
6134833 10.1021/jm00361a002 Mus musculus 1
6134833 10.1021/jm00361a002 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine