TOLUDESVENLAFAXINE

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Synonyms
Status
Molecule Category Free-form
UNII A7CGH459FN

Structure

InChI Key QKYBZJLEMOZFFU-UHFFFAOYSA-N
Smiles Cc1ccc(C(=O)Oc2ccc(C(CN(C)C)C3(O)CCCCC3)cc2)cc1
InChI
InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO3
Molecular Weight 381.52
AlogP 4.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 491-763 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 491-763 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4227736
DrugBank DB15052
FDA SRS A7CGH459FN
SureChEMBL SCHEMBL902362
CONTENTS