Details of the Drug

General Information of Drug (ID: DMWDJ0H)

Drug Name
LEVONORDEFRIN
Synonyms
levonordefrin; Corbadrine; Neo-Cobefrin; Nordefrin; 829-74-3; Corbadrinum; Corbadrina; alpha-Methylnoradrenaline; Corbadrinum [INN-Latin]; Corbadrina [INN-Spanish]; L-alpha-Methylnoradrenaline; Levonordefrin [USP]; Nordefrin, (-)-; UNII-V008L6478D; CHEBI:10304; 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol; Corbadrine (INN); Corbadrine [INN]; Levonordefrin (USP); V008L6478D; CAS-829-74-3; DSSTox_RID_81553; DSSTox_CID_26349
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 183.2
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H13NO3
IUPAC Name
4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol
Canonical SMILES
C[C@@H]([C@@H](C1=CC(=C(C=C1)O)O)O)N
InChI
InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1
InChIKey
GEFQWZLICWMTKF-CDUCUWFYSA-N
Cross-matching ID
PubChem CID
164739
ChEBI ID
CHEBI:10304
CAS Number
829-74-3
UNII
V008L6478D
DrugBank ID
DB06707
TTD ID
D0E9VU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [2]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [2]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) 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
Adrenergic receptor alpha-1A (ADRA1A) DTT ADRA1A 9.43E-01 -0.03 -0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from LEVONORDEFRIN (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Methylene blue DMJAPE7 Moderate Additive hypertensive effects by the combination of LEVONORDEFRIN and Methylene blue. Acquired methaemoglobinaemia [3A93] [3]
Levomilnacipran DMV26S8 Moderate Additive hypertensive effects by the combination of LEVONORDEFRIN and Levomilnacipran. Chronic pain [MG30] [4]
Ozanimod DMT6AM2 Moderate Additive hypertensive effects by the combination of LEVONORDEFRIN and Ozanimod. Multiple sclerosis [8A40] [3]

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 508).
2 Medetomidine analogs as alpha 2-adrenergic ligands. 2. Design, synthesis, and biological activity of conformationally restricted naphthalene deriva... J Med Chem. 1996 Jul 19;39(15):3001-13.
3 Goldberg LI "Monoamine oxidase inhibitors: adverse reactions and possible mechanisms." JAMA 190 (1964): 456-62. [PMID: 14197995]
4 Product Information. Cymbalta (duloxetine). Lilly, Eli and Company, Indianapolis, IN.