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Compound Detail

CHEMBL419911

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O=C(N1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419911
Phase Preclinical
Structure Type MOL
InChI Key WKOOBVWHTGPRJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.9
MW (Da)
3.64
ALogP
2
HBA
0
HBD
26.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O
MW 355.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
12372512 10.1016/s0960-894x(02)00655-8 D(2) dopamine receptor 1
12372512 10.1016/s0960-894x(02)00655-8 D(4) dopamine receptor 1
12372512 10.1016/s0960-894x(02)00655-8 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine