Details of the Drug

General Information of Drug (ID: DM0EKO5)

• Drug Name: Boldenone
• Synonyms: Boldenone; Dehydrotestosterone; 846-48-0; 1,2-Dehydrotestosterone; 1-Dehydrotestosterone; 1,2-Didehydrotestosterone; 17beta-Boldenone; delta1-Testosterone; Boldenonum; Boldenona; 17beta-Hydroxyandrosta-1,4-dien-3-one; 1,4-Androstadien-17beta-ol-3-one; Boldenonum [INN-Latin]; Boldenona [INN-Spanish]; Boldenone [INN:BAN]; UNII-5H7I2IP58X; 17beta-Hydroxyandrosta-1,4-diene-3-one; 17-beta-Hydroxyandrosta-1,4-dien-3-one; EINECS 212-686-0; NSC 79102; 17-beta-Hydroxy-17-alpha-1,4-androstadien-3-one; 5H7I2IP58X; CHEBI:34584

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 286.4
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• ADMET Property: Half-life: The concentration or amount of drug in body reduced by one-half in 14 days [2]
• Chemical Identifiers:
  Formula: C19H26O2
  IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  Canonical SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C
  InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
  InChIKey: RSIHSRDYCUFFLA-DYKIIFRCSA-N
• Cross-matching ID:
  PubChem CID: 13308
  ChEBI ID: CHEMBL209073
  CAS Number: 846-48-0
  UNII: 5H7I2IP58X
  DrugBank ID: DB01541
  TTD ID: D09HQH
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor (AR)	TTS64P2	ANDR_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Androgen receptor (AR)	DTT	AR	2.13E-01	-0.07	-0.11

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds