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Compound Detail

CHEMBL380484

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CN1CCc2c([nH]c3ccccc23)CCCCC1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380484
Phase Preclinical
Structure Type MOL
InChI Key LSIBHGOFKYGMOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
5.11
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2
MW 318.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
16420061 10.1021/jm050846j D(1A) dopamine receptor 2
16420061 10.1021/jm050846j D(2) dopamine receptor 2
16420061 10.1021/jm050846j D(1B) dopamine receptor 2
16420061 10.1021/jm050846j D(4) dopamine receptor 1
16420061 10.1021/jm050846j D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine