Details of the Drug

General Information of Drug (ID: DMB6871)

• Drug Name: Testosterone enanthate
• Synonyms: Testanthate; Testate; Testenate; Testinon; Testoenant; Testonenant; Testosterone 17-enanthate; Testosterone enantate; Testosterone heptanoate; Testosterone heptoate; Testosterone heptylate; Testosterone oenanthate; Testostroval; testosterone enanthate; 17-Hydroxyandrost-4-en-3-one, 17-heptanoate; 315-37-7; Andro L.A. 200; Andropository; Androtardyl; Atlatest; DePatestrye; Delatest; Depo-Testro Med; Ditate; Durathate; Everone; Exten test; Malogen L.A.; Malogen L.A.200; NSC-17591; Orquisteron-E; Primotestone; Reposo TMD; Reposo-TMD

Indication

Disease Entry	ICD 11	Status	REF
Testosterone deficiency	5A81.1	Approved	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 400.6
  Topological Polar Surface Area (xlogp); 6.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property:
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 1200 mcg/L [2]
  Elimination: About 90% of a dose of testosterone given intramuscularly is excreted in the urine as glucuronic and sulfuric acid conjugates of testosterone and its metabolites; about 6% of a dose is excreted in the feces, mostly in the unconjugated form [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 7 - 9 days [4]
  Metabolism: The drug is metabolized via the enzymes in the bloodstream [3]
  Vd: The volume of distribution (Vd) of drug is 1 L/kg [5]
• Chemical Identifiers:
  Formula: C26H40O3
  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] heptanoate
  Canonical SMILES: CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
  InChI: VOCBWIIFXDYGNZ-IXKNJLPQSA-N
  InChIKey: 1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
• Cross-matching ID:
  PubChem CID: 9416
  ChEBI ID: CHEBI:9464
  CAS Number: 315-37-7
  DrugBank ID: DB13944
  INTEDE ID: DR1565

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	[6]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[7]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Substrate	[8]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[9]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[10]
Cytochrome P450 3A7 (CYP3A7)	DERD86B	CP3A7_HUMAN	Substrate	[11]
Steroid 5-alpha-reductase 2 (SRD5A2)	DEPTJ3D	S5A2_HUMAN	Substrate	[12]
Phosphodiesterase 7B (PDE7B)	DEON3ED	PDE7B_HUMAN	Substrate	[13]
Steroid 5-alpha-reductase 3 (SRD5A3)	DEZGVDW	PORED_HUMAN	Substrate	[12]
Steroid 5-alpha-reductase 1 (SRD5A1)	DEOG15F	S5A1_HUMAN	Substrate	[12]

References

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