General Information of Drug (ID: DMMJ6NS)

Drug Name
Imetit
Synonyms
imetit; S-(2-(4-Imidazolyl)ethyl)isothiourea; 102203-18-9; UNII-677MJ4VPZC; 2-(1H-Imidazol-4-yl)ethyl carbamimidothioate; 677MJ4VPZC; CHEMBL19439; CHEBI:64156; 2-(1h-imidazol-5-yl)ethyl carbamimidothioate; Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl ester; 2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide; C6H10N4S; Carbamimidothioic acid,2-(1H-imidazol-5-yl)ethyl ester; S-[2-(4-imidazolyl)ethyl]isothiourea; Tocris-0729; Lopac-I-135; AC1Q7DRW; ACMC-20m57g; AC1L1GI2; Lopac0_000645; SCHEMBL114670; GTPL1250; DTXSID8043737
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) 170.24
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H10N4S
IUPAC Name
2-(1H-imidazol-5-yl)ethyl carbamimidothioate
Canonical SMILES
C1=C(NC=N1)CCSC(=N)N
InChI
InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
InChIKey
PEHSVUKQDJULKE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3692
ChEBI ID
CHEBI:64156
CAS Number
102203-18-9
TTD ID
D02RAN

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]
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 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: 1250).
2 The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.
3 Histamine excites neonatal rat sympathetic preganglionic neurons in vitro via activation of H1 receptors. J Neurophysiol. 2006 Apr;95(4):2492-500.