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Compound Detail

CHEMBL3325918

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CN1CCc2cc(O)c(CN)cc2C(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325918
Phase Preclinical
Structure Type MOL
InChI Key MEJNSTSZPFFDHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.47
ALogP
3
HBA
2
HBD
49.5
PSA (Ų)
0.89
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 C18H22N2O
MW 282.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
25076379 10.1016/j.ejmech.2014.07.059 D(1A) dopamine receptor 1
25076379 10.1016/j.ejmech.2014.07.059 D(2) dopamine receptor 1
25076379 10.1016/j.ejmech.2014.07.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine