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Compound Detail

CHEMBL3325909

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CC(=O)Nc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325909
Phase Preclinical
Structure Type MOL
InChI Key ZAWHSSDPGDMUJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
2.97
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.84
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 C19H22N2O2
MW 310.40
Aromatic Rings 2
Heavy Atoms 23
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