Details of the Drug

General Information of Drug (ID: DMUFGAY)

Drug Name
Betazole
Synonyms
Ametazole; Betazol; Betazolo; Betazolum; Betazole [INN]; Betazolo [DCIT]; Lilly 96791; Betazol [INN-Spanish]; Betazolum [INN-Latin]; 1H-Pyrazole-3-ethanamine; 2-(1H-Pyrazol-3-yl)ethanamine; 2-(1H-pyrazol-5-yl)ethanamine; 2-(3-Pyrazolyl)ethylamine; 3-(2-Aminoethyl)pyrazole; 3-(beta-aminoethyl)pyrazole
Indication
Disease Entry ICD 11 Status REF
Gastric secretory disorder DD90 Approved [1]
Therapeutic Class
Antihistamines
Affected Organisms
Humans and other mammals
ATC Code
V04CG02: Betazole
V04CG: Tests for gastric secretion
V04C: OTHER DIAGNOSTIC AGENTS
V04: DIAGNOSTIC AGENTS
V: VARIOUS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 111.15
Logarithm of the Partition Coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption
The drug is rapidly and completely absorbed []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 4.49852 micromolar/kg/day [2]
Chemical Identifiers
Formula
C5H9N3
IUPAC Name
2-(1H-pyrazol-5-yl)ethanamine
Canonical SMILES
C1=C(NN=C1)CCN
InChI
InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)
InChIKey
JXDFEQONERDKSS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7741
ChEBI ID
CHEMBL59170
CAS Number
105-20-4
UNII
1C065P542O
DrugBank ID
DB00272
TTD ID
D01OUE
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H2 receptor (H2R) TTQHJ1K HRH2_HUMAN Antagonist [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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: 7126).
2 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
3 Effect of nizatidine and cimetidine on betazole-stimulated gastric secretion of normal subjects: comparison of effects on acid, water, and pepsin. Am J Gastroenterol. 1988 Jan;83(1):32-6.