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Compound Detail

CHEMBL209969

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NC(=O)c1ccccc1CC(c1ccccc1)N1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209969
Phase Preclinical
Structure Type MOL
InChI Key MGQYROXWDORYIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
1.97
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
16750359 10.1016/j.bmcl.2006.05.051 Sodium-dependent dopamine transporter 1
16750359 10.1016/j.bmcl.2006.05.051 Sodium-dependent noradrenaline transporter 1
16750359 10.1016/j.bmcl.2006.05.051 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine