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Compound Detail

CHEMBL4864522

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O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@@H]21)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864522
Phase Preclinical
Structure Type MOL
InChI Key VXNGRJYOYXAYSC-AHKZPQOWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.70
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2O3
MW 442.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
34284107 10.1016/j.bmcl.2021.128269 D(2) dopamine receptor 1
34284107 10.1016/j.bmcl.2021.128269 D(3) dopamine receptor 1
34284107 10.1016/j.bmcl.2021.128269 Mus musculus 1

Data from ChEMBL 36 via Core Engine