Details of the Drug

General Information of Drug (ID: DMFNB40)

Drug Name

Noradrenalone (arterenone)

Synonyms

Arterenone; 499-61-6; Noradrenalone; 2-Amino-1-(3,4-dihydroxyphenyl)ethanone; 2-Amino-1-(3,4-dihydroxyphenyl)ethan-1-one; Arterenon; EINECS 207-883-3; U 0603; 2-Amino-3',4'-dihydroxyacetophenone; BRN 2719260; Ethanone, 2-amino-1-(3,4-dihydroxyphenyl)-; ACETOPHENONE, 2-AMINO-3',4'-DIHYDROXY-; ADROLOP; AC1Q5DI7; SCHEMBL1703207; AC1L1V18; CTK4J1837; 5090-29-9 (hydrochloride); DTXSID10198144; MolPort-001-785-861; ZINC37629258; AKOS006275024; ACN-049173; AS07040; LS-13364; KB-282798; KB-227300; Ethanone,2-amino-1-(3,4-dihydroxyphenyl)-

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)

167.16

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H9NO3
IUPAC Name: 2-amino-1-(3,4-dihydroxyphenyl)ethanone
Canonical SMILES: C1=CC(=C(C=C1C(=O)CN)O)O
InChI: InChI=1S/C8H9NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4,9H2
InChIKey: CNFQARFTXUBHJY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10359
CAS Number: 499-61-6
TTD ID: D0IB8N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatic-L-amino-acid decarboxylase (DDC)	TTN451K	DDC_HUMAN	Activator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Aromatic-L-amino-acid decarboxylase (DDC)	DTT	DDC	7.84E-03	-1.49	-1.01

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Activation of an adrenergic pro-drug through sequential stereoselective action of tandem target enzymes. Biochem Biophys Res Commun. 1992 Nov 30;189(1):33-9.