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Compound Detail

CHEMBL270240

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CCN(CC)C(=O)C1(c2ccccc2)CC1CNCc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270240
Phase Preclinical
Structure Type MOL
InChI Key SKEKTDQXWYTVGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
3.00
ALogP
3
HBA
1
HBD
45.2
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 C21H27N3O
MW 337.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

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