Details of the Drug

General Information of Drug (ID: DMY2AH1)

• Drug Name: Aminophenazone
• Synonyms: AMINOPYRINE; Amidazofen; Amidazophen; Amidazophene; Amidofebrin; Amidofen; Amidophen; Amidophenazone; Amidopyrazoline; Amidopyrin; Amidopyrine; Aminofenazone; Aminophenazon; Aminopyrin; Anafebrina; Brufaneuxol; Dereuma; Dimapyrin; Dimethylaminoantipyrine; Dimethylaminoazophene; Dimethylaminophenazone; Dipirin; Dipyrin; Dipyrine; Eufibron; Febrinina; Febron; Hyparon; Itamidone; Mamallet-A; Novamidon; Piramidon; Pirazon; Piridol; Piromidina; Polinalin; Pyradone; Pyramidon; Pyramidone; aminophenazone; 4-Dimethylaminoantipyrine; 58-15-1

Indication

Disease Entry	ICD 11	Status	REF
Anaesthesia	9A78.6	Phase 4	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 231.29
  Topological Polar Surface Area (xlogp); 1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 247.0508 micromolar/kg/day [3]
  Water Solubility: The ability of drug to dissolve in water is measured as 55.55 mg/mL [2]
• Chemical Identifiers:
  Formula: C13H17N3O
  IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
  Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
  InChI: RMMXTBMQSGEXHJ-UHFFFAOYSA-N
  InChIKey: 1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
• Cross-matching ID:
  PubChem CID: 6009
  ChEBI ID: CHEBI:160246
  CAS Number: 58-15-1
  DrugBank ID: DB01424
  INTEDE ID: DR0089

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[4]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[4]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[6]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[7]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[4]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[7]
Cytochrome P450 2C18 (CYP2C18)	DEZMWRE	CP2CI_HUMAN	Substrate	[4]
Steroid 17-alpha-monooxygenase (CYP17A1)	DEX2KIA	CP17A_HUMAN	Substrate	[4]

References

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