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Compound Detail

CHEMBL12099

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CCCCN(CCCC)C1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12099
Phase Preclinical
Structure Type MOL
InChI Key DUYZNNNRBLEHMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N3O
MW 301.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
1348089 10.1021/jm00084a013 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine