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Compound Detail

CHEMBL132626

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CCCN(CCC)c1ccc2c(c1)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132626
Phase Preclinical
Structure Type MOL
InChI Key NIAGNBAOEWXBKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

231.4
MW (Da)
4.19
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N
MW 231.38
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
12954065 10.1021/jm0307786 Rattus norvegicus 4
12954065 10.1021/jm0307786 D(1A) dopamine receptor 2
12954065 10.1021/jm0307786 D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine