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]
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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

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 Interaction Atlas (MIA)

MIA Detail

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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

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: 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.