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Compound Detail

CHEMBL272074

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CCN(CC)C(=O)C1(c2ccccc2)CC1CNCc1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272074
Phase Preclinical
Structure Type MOL
InChI Key RBGQVIWIAYEYFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.20
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O2
MW 326.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent noradrenaline transporter 1
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent serotonin transporter 1
18207394 10.1016/j.bmcl.2008.01.011 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine