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Compound Detail

CHEMBL450623

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NCC1CC1(C(=O)NC1CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450623
Phase Preclinical
Structure Type MOL
InChI Key ZYQIUGBSDWKKMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
1.18
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O
MW 230.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.09

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