Details of the Drug

General Information of Drug (ID: DMKAW4P)

Drug Name
(R)-alpha-methylhistamine
Synonyms
(R)-alpha-Methylhistamine; CHEBI:73337; r-alpha-methylhistamine; (R)alpha-Me-histamine; CHEMBL268229; (R)-(-)-alpha-methylhistamine; (2R)-1-(1H-imidazol-4-yl)propan-2-amine; 75614-87-8; 1H-Imidazole-4-ethanamine, alpha-methyl-, (alphaR)-; (R)-(-)-4-(2-aminopropyl)imidazole; (2R)-1-(3H-imidazol-4-yl)propan-2-amine; (2R)-1-(1H-imidazol-5-yl)propan-2-amine; Alpha-Methylhistamine-R; C6H11N3; [3H]-R-alpha-Methylhistamine; (R)-[3H]alpha-methylhistamine; [3H](R)-alpha-methylhistamine
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) -0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H11N3
IUPAC Name
(2R)-1-(1H-imidazol-5-yl)propan-2-amine
Canonical SMILES
C[C@H](CC1=CN=CN1)N
InChI
InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey
XNQIOISZPFVUFG-RXMQYKEDSA-N
Cross-matching ID
PubChem CID
156615
ChEBI ID
CHEMBL73337
CAS Number
75614-87-8
TTD ID
D03SAM
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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
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: 1237).
2 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.
3 Cloning and pharmacological characterization of a fourth histamine receptor (H(4)) expressed in bone marrow. Mol Pharmacol. 2001 Mar;59(3):420-6.