Details of the Drug

General Information of Drug (ID: DMST5VW)

Drug Name

amidephrine

Synonyms

amidephrine; Amidefrine; Amidefrine mesilate; UNII-U56LDN9FFT; 37571-84-9; UNII-NI24N176MY; U56LDN9FFT; NI24N176MY; 3354-67-4; Amidephrine, (+)-; N-(3-(1-Hydroxy-2-(methylamino)-ethyl)phenyl)methanesulfonamide; Amidephrine, (-)-; Amidefrine [INN:BAN]; Amidefrin; AC1L24YQ; GTPL514; SCHEMBL122479; CHEMBL146408; ZHOWHMXTJFZXRB-UHFFFAOYSA-N; CHEBI:134994; N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide; BDBM50225291; Methanesulfonamide, N-(3-(1-hydroxy-2-(methylamino)ethyl)phenyl)-, (-)-; Methanesulfonamide, N-(3-(1-hy

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

244.31

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H16N2O3S
IUPAC Name: N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide
Canonical SMILES: CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O
InChI: InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3
InChIKey: ZHOWHMXTJFZXRB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15010
ChEBI ID: CHEBI:134994
CAS Number: 37571-84-9
DrugBank ID: DB16623
TTD ID: D0SG6A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Agonist	[2]

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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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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: 514).
2	Selectivity of agonists for cloned alpha 1-adrenergic receptor subtypes. Mol Pharmacol. 1994 Nov;46(5):929-36.