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Compound Detail

CHEMBL40733

DESMETHYLSERTRALINE
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N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40733
Name DESMETHYLSERTRALINE
Phase Preclinical
Structure Type MOL
InChI Key SRPXSILJHWNFMK-ZBEGNZNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.2
MW (Da)
4.92
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15Cl2N
MW 292.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
12649369 10.1124/jpet.102.046532 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine