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]
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Affected Organisms

Humans and other mammals

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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: CHEBI:34584
CAS Number: 846-48-0
UNII: 5H7I2IP58X
DrugBank ID: DB01541
TTD ID: D09HQH

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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