Details of the Drug

General Information of Drug (ID: DMTGMB1)

Drug Name
Metanephrine
Synonyms
Metanephrine; Metadrenaline; 5001-33-2; DL-Metanephrine; 3-Methoxyadrenaline; m-O-Methyladrenaline; (+/-)-Metanephrine; 4-[1-Hydroxy-2-(methylamino)ethyl]-2-methoxyphenol; CHEBI:89633; JWJCTZKFYGDABJ-UHFFFAOYSA-N; 3-methoxy-adrenaline; epinephrine metabolite; 3-O-Methylepinephrine; 3-O-methyl-Adrenaline; Adrenaline, 3-methoxy-; AC1L2HML; Prestwick2_000122; Prestwick0_000122; DL-3-O-Methyladrenaline; Prestwick3_000122; Prestwick1_000122; Adrenaline, 3-O-methyl-; DL-METANEPHRINE HCI; CHEMBL775; Vanillyl alcohol, .alpha.-[(methylamin
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 197.23
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H15NO3
IUPAC Name
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol
Canonical SMILES
CNCC(C1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
InChIKey
JWJCTZKFYGDABJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21100
ChEBI ID
CHEMBL89633
CAS Number
5001-33-2
TTD ID
D03HKV
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Catecholamine uptake (CA uptake) TTJ6ESR NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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: 6644).
2 Catecholamine uptake blockade in anaesthetized dogs: influence on cardiovascular responses. J Pharm Pharmacol. 1979 Nov;31(11):761-6.