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]
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
CHEMBL134994
CAS Number
37571-84-9
UNII
7E2P22546V
DrugBank ID
DB16623
TTD ID
D0SG6A
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
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Agonist [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-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) 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.