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Compound Detail

CHEMBL96726

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C=CCN1CCC2c3cccc(C(N)=O)c3CCC21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL96726
Phase Preclinical
Structure Type MOL
InChI Key ITRJBWXLLLCDGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
2.08
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O
MW 256.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
8064801 10.1021/jm00043a013 D(2) dopamine receptor 3
8064801 10.1021/jm00043a013 D(3) dopamine receptor 1
8064801 10.1021/jm00043a013 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine