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]
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Therapeutic Class

Antihistamines

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:59170
CAS Number: 105-20-4
DrugBank ID: DB00272
TTD ID: D01OUE

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.