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Compound Detail

CHEMBL202055

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CCCC(C(O)c1ccc(C)cc1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202055
Phase Preclinical
Structure Type MOL
InChI Key NJZIWQLWRVISOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

247.4
MW (Da)
3.29
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
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 C16H25NO
MW 247.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
16480278 10.1021/jm050797a Sodium-dependent dopamine transporter 1
16480278 10.1021/jm050797a Sodium-dependent serotonin transporter 1
16480278 10.1021/jm050797a Sodium-dependent noradrenaline transporter 1

Data from ChEMBL 36 via Core Engine