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Compound Detail

CHEMBL394777

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COc1cc2c(cc1Cl)CCN1CCCc3ccccc3C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394777
Phase Preclinical
Structure Type MOL
InChI Key CSMHWQDLHDNUCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
4.24
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.78
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 C19H20ClNO
MW 313.83
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
17676831 10.1021/jm070388+ D(1A) dopamine receptor 1
17676831 10.1021/jm070388+ D(2) dopamine receptor 1
17676831 10.1021/jm070388+ D(3) dopamine receptor 1
17676831 10.1021/jm070388+ D(4) dopamine receptor 1
17676831 10.1021/jm070388+ D(1B) dopamine receptor 1

Data from ChEMBL 36 via Core Engine