Details of the Drug

General Information of Drug (ID: DM0N3L7)

• Drug Name: Ethopropazine
• Synonyms: Aethopropropazin; Athapropazine; Athopropazin; Ethapropazine; Ethopromazine; Etopropezina; Fempropazine; Fenpropazina; Isopthazine; Isotazin; Isothazine; Isothiazine; Lysivane; Parcidol; Pardidol; Parfezine; Parkin; Parkisol; Parsidan; Parsidol; Parsitan; Parsotil; Phenopropazine; Phenoprozine; Prodictazin; Prodierazine; Profenamina; Profenamine; Profenaminum; Prophenamine; Prophenaminum; Rochipel; Rocipel; Rodipal; Profenamina [Italian]; RP 3356; SC 2538; SKF 2538; W 483; Parkin (TN); Parsidan (TN); Parsidol(TN); Profenamina [INN-Spanish]; Profenamine (INN); Profenamine [INN:BAN]; Profenaminum [INN-Latin]; N,N-Diethyl-alpha-methyl-10H-phenothiazine-10-ethanamine; N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine; N,N-Diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine; N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine; 10-(2-Diethylaminopropyl)phenothiazine; 10-[2-(Diethylamino)-1-Propyl]phenothiazine;10-[2-(Diethylamino)-2-methylethyl]phenothiazine; 10-[2-(Diethylamino)propyl]phenothiazine; 2-Diethylamino-1-propyl-N-dibenzoparathiazine

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Approved	[1]

• Therapeutic Class: Antiparkinson Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 312.5
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Absorption: The drug is well-absorbed from the gastrointestinal tract []
  Half-life: The concentration or amount of drug in body reduced by one-half in 1 - 2 hours [2]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 32.002 micromolar/kg/day [3]
• Chemical Identifiers:
  Formula: C19H24N2S
  IUPAC Name: N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
  Canonical SMILES: CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31
  InChI: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
  InChIKey: CDOZDBSBBXSXLB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3290
  ChEBI ID: CHEBI:313639
  CAS Number: 522-00-9
  DrugBank ID: DB00392
  TTD ID: D0Q0RC
  VARIDT ID: DR00996
  INTEDE ID: DR2283

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Modulator	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Gene/Protein Processing	[5]
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[6]

Molecular Expression Atlas of This Drug

• The Studied Disease: Parkinson disease
• ICD Disease Classification: 8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7181).
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] Comparative effects of cationic triarylmethane, phenoxazine and phenothiazine dyes on horse serum butyrylcholinesterase. Arch Biochem Biophys. 2008 Oct 15;478(2):201-5.
• [6] Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.