lofepramine   Click here for help

GtoPdb Ligand ID: 7551

Synonyms: Gamanil ® | Lomont ® | WHR-2908A
Approved drug
lofepramine is an approved drug
Compound class: Synthetic organic
Comment: Marketed formulations may contain lofepramine hydrochloride (PubChem CID 33611).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 23.55
Molecular weight 418.18
XLogP 6.01
No. Lipinski's rules broken 1
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Canonical SMILES CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2
Isomeric SMILES CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2
InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
NET Primary target of this compound Hs Inhibitor Inhibition 8.3 pKi - 2
pKi 8.3 (Ki 5.4x10-9 M) [2]
SERT Primary target of this compound Hs Inhibitor Inhibition 7.2 pKi - 2
pKi 7.2 (Ki 6x10-8 M) [2]