Details of the Drug

General Information of Drug (ID: DMCFH5W)

Drug Name
N-methylhistamine
Synonyms
Nalpha-Methylhistamine dihydrochloride; NAMH dihydrochloride; 16503-22-3; N-Methylhistamine dihydrochloride; UNII-S6S98U0517; S6S98U0517; n-alpha-methylhistamine dihydrochloride; N(alpha)-methylhistamine HCl; SCHEMBL614543; 1H-Imidazole-4-ethanamine, N-methyl-, dihydrochloride; Imidazole, 4-(2-(methylamino)ethyl)-, dihydrochloride; CTK8G1926; CTK8G1225; DTXSID90167838
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 198.09
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C6H13Cl2N3
IUPAC Name
2-(1H-imidazol-5-yl)-N-methylethanamine;dihydrochloride
Canonical SMILES
CNCCC1=CN=CN1.Cl.Cl
InChI
InChI=1S/C6H11N3.2ClH/c1-7-3-2-6-4-8-5-9-6;;/h4-5,7H,2-3H2,1H3,(H,8,9);2*1H
InChIKey
AYUQICXJAMPXPF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16078977
CAS Number
16503-22-3
TTD ID
D0T6SC
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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: 1242).
2 Cloning and pharmacological characterization of a fourth histamine receptor (H(4)) expressed in bone marrow. Mol Pharmacol. 2001 Mar;59(3):420-6.
3 Comparison of human, mouse, rat, and guinea pig histamine H4 receptors reveals substantial pharmacological species variation. J Pharmacol Exp Ther. 2001 Oct;299(1):121-30.