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Compound Detail

CHEMBL406269

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CCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406269
Phase Preclinical
Structure Type MOL
InChI Key GQIZBYSOZMBSBW-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.32
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO2
MW 323.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
18251489 10.1021/jm701045j D(1A) dopamine receptor 1
18251489 10.1021/jm701045j D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine