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]
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) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
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
ChEBI ID
CHEMBL353972
CAS Number
104054-27-5
UNII
03N9U5JAF6
DrugBank ID
DB11481
TTD ID
D05OVC
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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]
Molecular Interaction Atlas (MIA) 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.