Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2948)
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 Male sexual disorder [ICD11: HA02] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 212.29 Topological Polar Surface Area 28.7
Heavy Atom Count 16 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
71310
CAS Number
104054-27-5
TTD Drug ID
D05OVC
Formula
C14H16N2
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Atipamezole Metabolite M1 DM018153 N. A. Conjugation - N-glucuronidation 1 [2]
Atipamezole Metabolite M2 DM018154 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010077 Atipamezole Atipamezole Metabolite M1 Conjugation - N-glucuronidation UGT1A4 ... [2]
MR010078 Atipamezole Atipamezole Metabolite M2 Unclear - Unclear CYP [2]
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 Assessment and Confirmation of Species Difference in Nonlinear Pharmacokinetics of Atipamezole with Physiologically Based Pharmacokinetic Modeling

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