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Compound Detail

CHEMBL108386

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C(#Cc1cnc2ccccc2c1)CN1CC=C(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108386
Phase Preclinical
Structure Type MOL
InChI Key WEEOEJDXDFWPPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.38
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2
MW 324.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
8759640 10.1021/jm950721m D(2) dopamine receptor 1
8759640 10.1021/jm950721m Mus musculus 1

Data from ChEMBL 36 via Core Engine