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Compound Detail

CHEMBL3356088

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CCN(CC)c1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3356088
Phase Preclinical
Structure Type MOL
InChI Key FJFGTZQHFSUNCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

324.5
MW (Da)
3.86
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.92
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 C21H28N2O
MW 324.47
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.02

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