Details of the Drug

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
CHEMBL19439
CAS Number
102203-18-9
TTD ID
D02RAN
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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: 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.