Details of the Drug

General Information of Drug (ID: DMZO10Y)

• Drug Name: Testosterone Undecanoate
• Synonyms: Restandol (TN)

Indication

Disease Entry	ICD 11	Status	REF
Hypogonadism	5A61.0	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 456.7
  Topological Polar Surface Area (xlogp); 8.5
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Elimination: 90% of an intramuscularly administered dose of testosterone is conjugated and eliminated in the urine, and approximately 6% of the dose is eliminated primarily unconjugated in the feces [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 33.9 days [3]
  Metabolism: The drug is metabolized via the non specific esterases [4]
• Chemical Identifiers:
  Formula: C30H48O3
  IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] undecanoate
  Canonical SMILES: CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
  InChI: InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
  InChIKey: UDSFVOAUHKGBEK-CNQKSJKFSA-N
• Cross-matching ID:
  PubChem CID: 65157
  ChEBI ID: CHEBI:135741
  CAS Number: 5949-44-0
  DrugBank ID: DB13946
  TTD ID: D02AXG
  INTEDE ID: DR1566

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[5]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[6]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[7]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[8]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[9]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[10]

References

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