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Compound Detail

CHEMBL423760

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CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423760
Phase Preclinical
Structure Type MOL
InChI Key STJQOFCMAAFRKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
3.41
ALogP
5
HBA
2
HBD
52.5
PSA (Ų)
0.84
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 C17H20ClN5
MW 329.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
12408724 10.1021/jm0104825 D(4) dopamine receptor 1
12408724 10.1021/jm0104825 Adrenergic receptor alpha-1 1
12408724 10.1021/jm0104825 5-hydroxytryptamine receptor 2A 1
12408724 10.1021/jm0104825 D(2) dopamine receptor 1
12408724 10.1021/jm0104825 Dopamine receptors; D2 & D4 1
12408724 10.1021/jm0104825 Unchecked 1

Data from ChEMBL 36 via Core Engine