Details of the Drug

General Information of Drug (ID: DMABMPQ)

Drug Name

4-methylhistamine

Synonyms

4-Methylhistamine; 5-Methylhistamine; 36507-31-0; 5(4)-Methylhistamine; 1H-Imidazole-4-ethanamine, 5-methyl-; 2-(5-methyl-1H-imidazol-4-yl)ethanamine; UNII-54ST71P9EE; 1H-Imidazo-4-ethanamine, 5-methyl-; 54ST71P9EE; CHEBI:74760; IMIDAZOLE, 4-(2-AMINOETHYL)-5-METHYL-; 2-(5-Methyl-4-imidazolyl)ethylamine; 2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHANAMINE; p-methylhistamine; Methylhistamine-4; 5-(2-Aminoethyl)-4-methylimidazole; AC1L1XS2; SCHEMBL606803; CHEMBL275443; GTPL1269; SCHEMBL11452941; BDBM22880; UGYXPZQILZRKJJ-UHFFFAOYSA-N

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)

125.17

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C6H11N3
IUPAC Name: 2-(5-methyl-1H-imidazol-4-yl)ethanamine
Canonical SMILES: CC1=C(N=CN1)CCN
InChI: InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey: UGYXPZQILZRKJJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 37463
ChEBI ID: CHEBI:74760
CAS Number: 36507-31-0
TTD ID: D02SQF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H4 receptor (H4R)	TTXJ178	HRH4_HUMAN	Agonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
C-C motif chemokine 2 (CCL2)	OTAD2HEL	CCL2_HUMAN	Gene/Protein Processing	[3]
Interferon gamma (IFNG)	OTXG9JM7	IFNG_HUMAN	Gene/Protein Processing	[4]

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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 H4 receptor (H4R)	DTT	HRH4	1.32E-01	0.1	0.9

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: 1269).
2	Compared pharmacology of human histamine H3 and H4 receptors: structure-activity relationships of histamine derivatives. Br J Pharmacol. 2006 Apr;147(7):744-54.
3	Histamine downregulates monocyte CCL2 production through the histamine H4 receptor. J Allergy Clin Immunol. 2007 Aug;120(2):300-7. doi: 10.1016/j.jaci.2007.03.024. Epub 2007 May 15.
4	Histamine H4 receptor agonists have more activities than H4 agonism in antigen-specific human T-cell responses. Immunology. 2007 Jun;121(2):266-75. doi: 10.1111/j.1365-2567.2007.02574.x. Epub 2007 Mar 7.