General
Preferred name
ROXATIDINE ACETATE
Synonyms
ROXATIDINE ACETATE HYDROCHLORIDE ()
Roxatidine ()
HOE 760 ()
Roxatidine Acetate HCl ()
Roxatidine (Acetate Hydrochloride) ()
roxatidine acetate??hydrochloride ()
Altat ()
HOE-760 ()
HOE 062 [ROXATIDINE] ()
NSC-760384 ()
Pifatidine hydrochloride ()
Tzu-0460 ()
Pifatidine ()
Roxatidine Acetate ()
Roxatidine Acetate (hydrochloride) ()
P&D ID
PD009203
CAS
93793-83-0
78628-28-1
Tags
prodrug
drug candidate
natural product
drug
available
First approval
1986
Drug Status
experimental
approved
Drug indication
Anti-Ulcerative
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
18
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
348.2
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
2.12
TPSA
67.87
Fraction CSP3
0.58
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Immunology/Inflammation
Neuroscience
Neuronal Signaling
Target
H2 receptor
HRH2
H2 antagonist
Histamine Receptor
Member status
virtual
MOA
HRH2 antagonist
Histamine Receptor antagonist
Indication
Zollinger-Ellison syndrome, erosive esophagitis (EE), gastroesophageal reflux disease (GERD), gastritis
Source data
