Details of the Drug

General Information of Drug (ID: DMWDCV1)

Drug Name
N-[3H]alpha-methylhistamine
Synonyms
N-alpha-methylhistamine; 1H-Imidazole-4-ethanamine, N-methyl-; 4-(2-Methylaminoethyl)imidazole; N(sup alpha)-Methylhistamine; NAMH; Nalpha-Methylhistamine; UNII-Y7QR253130; N(alpha)-methylhistamine; Y7QR253130; Imidazole, 4-[2-(methylamino)ethyl]-; Imidazole, 4-(2-(methylamino)ethyl)-; [2-(1H-imidazol-5-yl)ethyl](methyl)amine; 2-(3H-imidazol-4-yl)-N-methylethanamine; [3H]-Na-methylhistamine; [3H]NAMH; N-alpha-methyl histamine
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) 125.17
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H11N3
IUPAC Name
2-(1H-imidazol-5-yl)-N-methylethanamine
Canonical SMILES
CNCCC1=CN=CN1
InChI
InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
PHSPJQZRQAJPPF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
912
ChEBI ID
CHEMBL268490
CAS Number
673-50-7
TTD ID
D08ECP
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H3 receptor (H3R) TT9JNIC HRH3_HUMAN Agonist [2]
Histamine H4 receptor (H4R) TTXJ178 HRH4_HUMAN Agonist [3]
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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
Histamine H3 receptor (H3R) DTT HRH3 3.62E-02 -0.09 -0.22
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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: 1239).
2 Molecular and pharmacological characterization of the mouse histamine H3 receptor. Eur J Pharmacol. 2003 Apr 25;467(1-3):57-65.
3 Histamine induces cytoskeletal changes in human eosinophils via the H(4) receptor. Br J Pharmacol. 2003 Nov;140(6):1117-27.