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Compound Detail

CHEMBL2094040

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Cl.FC(F)(F)c1cccc([C@@H]2CN3CCC[C@H]3c3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2094040
Phase Preclinical
Structure Type MOL
InChI Key IXIOHWIWSDAQFR-APTPAJQOSA-N
Parent Compound CHEMBL287620
Active Moiety CHEMBL287620
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
4.99
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClF3N
MW 353.82
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
6747993 10.1021/jm00374a001 Mus musculus 2
6747993 10.1021/jm00374a001 Sodium-dependent dopamine transporter 1
6747993 10.1021/jm00374a001 Norepinephrine transporter 1
6747993 10.1021/jm00374a001 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine