Details of the Drug

General Information of Drug (ID: DMJX1IB)

• Drug Name: Fedotozine
• Synonyms: AC1L1TVH; SCHEMBL1649900; AC1Q56G3; (2s)-n,n-dimethyl-2-phenyl-1-[(3,4,5-trimethoxybenzyl)oxy]butan-2-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 373.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H31NO4
  IUPAC Name: (2R)-N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
  Canonical SMILES: CC[C@](COCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C
  InChI: InChI=1S/C22H31NO4/c1-7-22(23(2)3,18-11-9-8-10-12-18)16-27-15-17-13-19(24-4)21(26-6)20(14-17)25-5/h8-14H,7,15-16H2,1-6H3/t22-/m0/s1
  InChIKey: MVKIWCDXKCUDEH-QFIPXVFZSA-N
• Cross-matching ID:
  PubChem CID: 6918160
  CAS Number: 123618-00-8
  TTD ID: D06FEF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

References

• [1] Irritable bowel syndrome neuropharmacology. A review of approved and investigational compounds. J Clin Gastroenterol. 2002 Jul;35(1 Suppl):S58-67.