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DB08806 - Roxatidine acetate


Identification
Name Roxatidine acetate
Accession Number DB08806
Type small molecule
Description Roxatidine acetate is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 348.4366
Groups approved
Monoisotopic Weight 348.204907394
Pharmacology
Indication For the treatment of disorders of the upper gastro-intestinal region that are due to an excess of hydrochloric acid in the gastric juice, i.e. duodenal ulcers, benign gastric ulcers. Also for prophylaxis of recurrent gastric and duodenal ulcers
Mechanism of action The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked.
Absorption Well absorbed orally (80-90% bioavailability).
Protein binding 5-7%
Biotransformation Roxatidine acetate is rapidly metabolised to the primary, active desacetyl metabolite.
Route of elimination Not Available
Toxicity Oral, mouse LD50: 1000 mg/kg
Affected organisms
  • Humans and other mammals
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Histamine H2 receptor
Name Histamine H2 receptor
Gene Name HRH2
Pharmacological action yes
Actions antagonist
References
  • Agrawal SS, Alvin Jose M: Roxatidine, an H(2) receptor blocker, is an estrogenic compound--experimental evidence. Syst Biol Reprod Med. 2010 Aug;56(4):286-91. - Pubmed
DTHybrid score 0.5519

Predictions


Id Partner name Gene Name Score
103 Muscarinic acetylcholine receptor M1 CHRM1 0.0339
1588 Multidrug resistance protein 1 ABCB1 0.0301
6142 Solute carrier family 22 member 8 SLC22A8 0.0253
6144 Solute carrier family 22 member 2 SLC22A2 0.0247
6016 Cytochrome P450 2C19 CYP2C19 0.0225
3923 Cholinesterase BCHE 0.0222
4119 Cytochrome P450 2D6 CYP2D6 0.0198
4512 Cytochrome P450 3A4 CYP3A4 0.0178
492 Histamine H1 receptor HRH1 0.0168
6145 Solute carrier family 22 member 1 SLC22A1 0.015
716 5-hydroxytryptamine 7 receptor HTR7 0.0129
318 Alpha-2A adrenergic receptor ADRA2A 0.0122
1341 Histamine H3 receptor HRH3 0.0121
502 5-hydroxytryptamine 2A receptor HTR2A 0.0118
4200 Cytochrome P450 1A2 CYP1A2 0.0117
556 Alpha-1A adrenergic receptor ADRA1A 0.0114
164 Histamine H4 receptor HRH4 0.0109
6147 Solute carrier family 22 member 3 SLC22A3 0.0094
4203 Histamine N-methyltransferase HNMT 0.0088
118 Organic cation/carnitine transporter 2 SLC22A5 0.0083
4118 Cytochrome P450 3A5 CYP3A5 0.0081
4757 Cytochrome P450 2C9 CYP2C9 0.0078
436 5-hydroxytryptamine 2B receptor HTR2B 0.0067
378 Alpha-2C adrenergic receptor ADRA2C 0.0062
629 Alpha-2B adrenergic receptor ADRA2B 0.0061
590 5-hydroxytryptamine 2C receptor HTR2C 0.0059
6030 Cytochrome P450 2B6 CYP2B6 0.0058
320 5-hydroxytryptamine 1A receptor HTR1A 0.0056
831 D(2) dopamine receptor DRD2 0.0052
6104 Dimethylaniline monooxygenase [N-oxide-forming] 1 FMO1 0.0047
1256 5-hydroxytryptamine 6 receptor HTR6 0.0043
6025 UDP-glucuronosyltransferase 1-4 UGT1A4 0.0041
6154 Multidrug and toxin extrusion protein 1 SLC47A1 0.0041
6101 Dimethylaniline monooxygenase [N-oxide-forming] 3 FMO3 0.0039
805 Cytochrome P450 11B1, mitochondrial CYP11B1 0.0035
432 D(4) dopamine receptor DRD4 0.0035
638 D(3) dopamine receptor DRD3 0.0034
885 5-hydroxytryptamine 1B receptor HTR1B 0.0033
193 Beta-1 adrenergic receptor ADRB1 0.0032
833 Organic cation/carnitine transporter 1 SLC22A4 0.0031
766 Beta-2 adrenergic receptor ADRB2 0.0031
23 D(1A) dopamine receptor DRD1 0.003
789 Alpha-1D adrenergic receptor ADRA1D 0.0029
776 Bile salt export pump ABCB11 0.0029
1024 Solute carrier family 22 member 11 SLC22A11 0.0029
6143 Solute carrier family 22 member 7 SLC22A7 0.0028
274 Muscarinic acetylcholine receptor M5 CHRM5 0.0028
450 Muscarinic acetylcholine receptor M4 CHRM4 0.0028
1181 Alpha-1-acid glycoprotein 1 ORM1 0.0027
824 Sodium-dependent serotonin transporter SLC6A4 0.0026
632 Alpha-1B adrenergic receptor ADRA1B 0.0026
540 Sodium-dependent noradrenaline transporter SLC6A2 0.0026
51 Muscarinic acetylcholine receptor M3 CHRM3 0.0025
617 Muscarinic acetylcholine receptor M2 CHRM2 0.0024
1729 Solute carrier family 22 member 6 SLC22A6 0.0023
6013 Cytochrome P450 2E1 CYP2E1 0.0023
6107 Cytochrome P450 3A7 CYP3A7 0.0023
4924 Cytochrome P450 2C8 CYP2C8 0.0021
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