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Compound Detail

CHEMBL284803

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CCCN(CCC)CCc1cccc(NC(C)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284803
Phase Preclinical
Structure Type MOL
InChI Key WMZYMPUNVVQYPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
3.31
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H26N2O
MW 262.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
2570151 10.1021/jm00129a017 D(2) dopamine receptor 2
4045928 10.1021/jm00148a028 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine