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Compound Detail

CHEMBL3325925

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CN1CCc2cc3ocnc3cc2C(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325925
Phase Preclinical
Structure Type MOL
InChI Key OBHRXPIOBQKIDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.45
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O
MW 278.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.01

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