Details of the Drug

General Information of Drug (ID: DM10XWU)

Drug Name

Atipamezole

Synonyms

Atipamezole; 104054-27-5; Antisedan; MPV-1248; MPV 1248; 4-(2-Ethyl-2-indanyl)imidazole; 4-(2-ethyl-2,3-dihydro-1h-inden-2-yl)-1h-imidazole; Atipamezolum [Latin]; Atipamezol [Spanish]; UNII-03N9U5JAF6; 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-; 03N9U5JAF6; 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole; NCGC00182707-01; Zeolite, type: ZSM-5; DSSTox_CID_29061; DSSTox_RID_83274; DSSTox_GSID_49135; 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole; antipamezole; Atipamezolum; Atipamezol; C14H16N2

Indication

Disease Entry	ICD 11	Status	REF
Male sexual disorder	HA02.0	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.29

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H16N2
IUPAC Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
Canonical SMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3
InChI: InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
InChIKey: HSWPZIDYAHLZDD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71310
CAS Number: 104054-27-5
DrugBank ID: DB11481
TTD ID: D05OVC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor Alpha-2 (ADRA2)	TTQ8AFT	NOUNIPROTAC	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000275)
2	Low doses of alpha 2-adrenoceptor antagonists augment spinal morphine analgesia and inhibit development of acute and chronic tolerance. Br J Pharmacol. 2008 Dec;155(8):1264-78.