Details of the Drug

General Information of Drug (ID: DMX1HKU)

Drug Name
4-(2-(Phenylamino)ethyl)-1H-imidazole
Synonyms 4-(2-(Phenylamino)ethyl)-1H-imidazole; CHEMBL1096514; 51720-84-4; phenylhistamine; BDBM50317871; ZINC49088978
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) 187.24
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H13N3
IUPAC Name
N-[2-(1H-imidazol-5-yl)ethyl]aniline
Canonical SMILES
C1=CC=C(C=C1)NCCC2=CN=CN2
InChI
InChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
InChIKey
JNHQUQHJWWFGKK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46222042
TTD ID
D02INJ

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) 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) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.