Details of the Drug

General Information of Drug (ID: DM3ML0N)

Drug Name
Tramazoline
Synonyms
Tramazoline; 1082-57-1; UNII-SLE31693IV; Towk; CHEMBL32573; SLE31693IV; QQJLHRRUATVHED-UHFFFAOYSA-N; 4,5-Dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-1H-imidazol-2-amine; Rhinol; 1H-Imidazol-2-amine, 4,5-dihydro-N-(5,6,7,8-tetrahydro-1-naphthalenyl)-; N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine; Tramazolina; Rhynaspray; Tramazolinum; Tobispray; Tramazoline [INN:BAN]; Tramazolinum [INN-Latin]; Tramazolina [INN-Spanish]; Muconasal (TN); EINECS 214-105-6; Tramazoline (INN); TRAMAZOLIN; AC1Q4UQJ; AC1L1KJB
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
R01AA09: Tramazoline
R01AA: Sympathomimetics, plain
R01A: DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01: NASAL PREPARATIONS
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 215.29
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C13H17N3
IUPAC Name
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Canonical SMILES
C1CCC2=C(C1)C=CC=C2NC3=NCCN3
InChI
InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)
InChIKey
QQJLHRRUATVHED-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5524
ChEBI ID
CHEMBL134893
CAS Number
1082-57-1
UNII
SLE31693IV
DrugBank ID
DB13064
TTD ID
D0ZT8D
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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-2A (ADRA2A) TTWG9A4 ADA2A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2B (ADRA2B) TTWM4TY ADA2B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Inhibitor [1]
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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
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 alpha 2 adrenoceptors: classification, localization, mechanisms, and targets for drugs. J Med Chem. 1982 Dec;25(12):1389-401.