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Compound Detail

CHEMBL386491

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c1ccc2c(c1)CCN1CCCc3c([nH]c4ccccc34)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386491
Phase Preclinical
Structure Type MOL
InChI Key BLLBQYADQFPQDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
4.06
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2
MW 288.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
17034146 10.1021/jm060213k D(2) dopamine receptor 2
17034146 10.1021/jm060213k D(1B) dopamine receptor 2
17034146 10.1021/jm060213k D(1A) dopamine receptor 2
17034146 10.1021/jm060213k D(3) dopamine receptor 1
17034146 10.1021/jm060213k D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine