Details of the Drug

General Information of Drug (ID: DMJ82TO)

• Drug Name: 8R-hydroxylobelane
• Synonyms: 8R-hydroxylobelane; CHEMBL125511; SCHEMBL14178948; BDBM50080821; (R)-1-Phenyl-2-(1-methyl-6beta-phenethyl-2beta-piperidinyl)ethanol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 323.5
  Topological Polar Surface Area (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H29NO
  IUPAC Name: (1R)-2-[(2R,6S)-1-methyl-6-(2-phenylethyl)piperidin-2-yl]-1-phenylethanol
  Canonical SMILES: CN1[C@@H](CCC[C@@H]1C[C@H](C2=CC=CC=C2)O)CCC3=CC=CC=C3
  InChI: InChI=1S/C22H29NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,20-22,24H,8,13-17H2,1H3/t20-,21+,22+/m0/s1
  InChIKey: MUSFCRGEWKAWEE-BHDDXSALSA-N
• Cross-matching ID:
  PubChem CID: 10782198
  TTD ID: D0Z0LP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

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