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Compound Detail

CHEMBL4439118

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CN(C)C(=O)NCCCCCN1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439118
Phase Preclinical
Structure Type MOL
InChI Key MBIIUPKUQMDDRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
2.49
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N3O
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
30964661 10.1021/acs.jmedchem.9b00508 D(2) dopamine receptor 7

Data from ChEMBL 36 via Core Engine