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Compound Detail

CHEMBL122958

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CN(C)C1CC2CC1c1cc(O)c(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122958
Phase Preclinical
Structure Type MOL
InChI Key LJBAPOGRQBYOPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
2.00
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.71
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 C13H17NO2
MW 219.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.88

Literature References

PubMed DOI Target Context # Activities
7200145 10.1021/jm00346a007 Dopamine receptor 4

Data from ChEMBL 36 via Core Engine