Details of the Drug

General Information of Drug (ID: DMI6GD0)

Drug Name
VUF 8328
Synonyms VUF 8328; 3-(1H-imidazol-5-yl)propyl carbamimidothioate; 102203-17-8; CHEMBL281576; GTPL1246; BDBM22912; CTK8G4476; VUF8328; VUF-8328; PDSP2_000279; PDSP1_000280
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 184.26
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H12N4S
IUPAC Name
3-(1H-imidazol-5-yl)propyl carbamimidothioate
Canonical SMILES
C1=C(NC=N1)CCCSC(=N)N
InChI
InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
InChIKey
QJUVWGBVEFRHCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10176414
TTD ID
D0Q8NO

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]
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: 1246).
2 Constitutive activity of histamine h(3) receptors stably expressed in SK-N-MC cells: display of agonism and inverse agonism by H(3) antagonists. J Pharmacol Exp Ther. 2001 Dec;299(3):908-14.