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Compound Detail

CHEMBL12247

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CCCCNC1Cc2cccc3nc(O)n(c23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12247
Phase Preclinical
Structure Type MOL
InChI Key NRLIHXRPOFGROM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.06
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O
MW 245.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
1348089 10.1021/jm00084a013 D(2) dopamine receptor 1
1348089 10.1021/jm00084a013 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine