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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:89633
CAS Number: 5001-33-2
TTD ID: D03HKV

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Amine oxidase A (MAOA)	OT8NIWMQ	AOFA_HUMAN	Regulation of Drug Effects	[3]
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Regulation of Drug Effects	[3]
Catechol O-methyltransferase (COMT)	OTPWKTQG	COMT_HUMAN	Biotransformations	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
3	Monoamine oxidase A down-regulation contributes to high metanephrine concentration in pheochromocytoma. J Clin Endocrinol Metab. 2012 Aug;97(8):2773-81. doi: 10.1210/jc.2012-1557. Epub 2012 May 8.