| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 21 | No |
Popular Name: Ranitidine Hydrochloride Ranitidine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56131-49-8; 66357-59-3; 71130-06-8 , 66357-35-5 , 66357-59-3 , 66357-59-3/'71130-06-8 , 66357-59-3; 66357-35-5 , 71130-06-8 , [66357-59-3] , [71130-06-8]
(E)-N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine
1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-
1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-
56131-49-8; CPD000653467; Ranitidine hydrochloride; SAM002264645
66357-59-3; Prestwick_635; Ranitidine hydrochloride
CPD000653467; Ranitidine hydrochloride; SAM002264645
N (2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine
N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine
USAN); Ranitidine Bismutrex (BAN)
USAN); Ranitidine Hydrochloride (JAN
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antiulcer agent, | ZereneX Building Blocks IBScreen Bioactives |
| Indications | antiulcerative | KeyOrganics Bioactives |
| Indications | antiulcerative, gastroesophageal reflux disease (GERD) | KeyOrganics Bioactives |
| Melting_Point | ca 134? dec. | Alfa-Aesar |
| Melting_Point | ca 134° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0558779A1; EP0558779B1; US5456925 | IBM Patent Data |
| therap | H2 antihistamine | MicroSource Spectrum |
| Therapy | H2 Histamine receptor antagonist; anti-ulcer agent | SMDC MicroSource |
| mechanism | Histamine H 2-receptor antagonist | ZereneX Building Blocks |
| biological_use | low toxicity | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : R-3434; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: R-3434; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 650 | 0.41 | Binding ≤ 10μM |
| HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 501 | 0.42 | Binding ≤ 10μM |
| ATP4A-2-E | Potassium-transporting ATPase Alpha Chain 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 40 | 0.49 | Functional ≤ 10μM |
| ATP4B-2-E | Potassium-transporting ATPase Beta Chain (cluster #2 Of 2), Eukaryotic | Eukaryotes | 40 | 0.49 | Functional ≤ 10μM |
| HRH2-2-E | Histamine H2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 650 | 0.41 | Binding ≤ 1μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 501.187234 | 0.42 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 2300 | 0.38 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 501.187234 | 0.42 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 3400 | 0.36 | Functional ≤ 10μM |
| ATP4A_HUMAN | P20648 | Potassium-transporting ATPase Alpha Chain 1, Human | 40 | 0.49 | Functional ≤ 10μM |
| ATP4B_HUMAN | P51164 | Potassium-transporting ATPase Beta Chain, Human | 40 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Histamine receptors | |
| Ion transport by P-type ATPases | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
No pre-computed analogs available. Try a structural similarity search.