| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 20 | No |
Popular Name: Famotidine Famotidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 76824-35-6 , [76824-35-6]
(1-Amino-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)propylidene)sulfamide
(Z)-3-((2-(diaminomethyleneamino)thiazol-4-yl)methylthio)-N'-sulfamoylpropanimidamide
3-(2-Guanidinothiazol-4-ylmethylthio)-N1-sulfamoylpropionamide
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpro
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N-sulfamoylpropanimidamide
76824-35-6; D00318; Famotidine (JP16/USP/INN); Fluxid (TN); Pepcid (TN)
76824-35-6; Famotidine; Prestwick_212
CPD000058961; FAMOTIDINE; 76824-35-6
CPD000058961; FAMOTIDINE; SAM001247033
famotidina; famotidine; famotidinum
FAMOTIDINE PRESERVATIVE FREE IN PLASTIC CONTAINER
N'-(Aminosulfonyl)-3-([2-(diaminomethyleneamino)-4-thiazolyl]methylthio)propanamidine
PEPCID PRESERVATIVE FREE IN PLASTIC CONTAINER
Propanimidamide, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)-
Propanimidamide, 3-[[[2-[aminoiminomethyl)amino]-4-thiazoyl]methyl]thio]-N-(aminosulfonyl)
Propanimidamide, N'-(aminosulfonyl)-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)-
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.11 | -0.1 | -52.69 | 7 | 9 | -1 | 173 | 336.448 | 7 | ↓ |
| Ref Reference (pH 7) | -0.11 | -0.64 | -57.09 | 7 | 9 | -1 | 173 | 336.448 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | -1.09 | -74.16 | 8 | 9 | 0 | 173 | 337.456 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | -0.6 | -72.62 | 8 | 9 | 0 | 173 | 337.456 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | -1.09 | -46.02 | 9 | 9 | 1 | 175 | 338.464 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | -1.57 | -45.94 | 9 | 9 | 1 | 175 | 338.464 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.428 | Bitter DB |
| biological_use | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 2.71e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Indications | antiulcerative | KeyOrganics Bioactives |
| Indications | antiulcerative, reflux oesophagitis (heartburn) | KeyOrganics Bioactives |
| biological_use | Antiviral agent | IBScreen Bioactives |
| Patent Database Links | EP1336408; EP1361221; EP1514877; EP1611901; EP1674078; EP1676557; EP1731141; EP1832287; EP1880717; EP1891938; EP1905429; EP1992345; US2005019280; US2005101642; US2005152858; US2005250758; US2006173045; US2007190160; US2007196396; US2007196504; US200720722 | ChEBI |
| Patent Database Links | EP1361221 | ChEBI |
| mechanism | Gastric secretion inhibitor | IBScreen Bioactives |
| Therapy | H2 antihistamine | SMDC Iconix |
| mechanism | Histamine H 2 receptor antagonist | IBScreen Bioactives IBScreen Bioactives |
| Target | Histamine Receptor | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101156 | NIH Clinical Collection via PubChem |
| UniProt Database Links | S22A2_HUMAN; S22A2_MOUSE; S22A2_PIG; S22A2_PONAB; S22A2_RABIT; S22A2_RAT | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101156 | NIH Clinical Collection via PubChem |
| biological_use | Suggested beneficial effect in treatment of schizophrenia. | IBScreen Bioactives |
| biological_use | Used in treatment of gastric and duodenal ulcers, gastro-oesophageal reflux disease and Zollinger-Ellison syndrome. | IBScreen Bioactives |
| mechanism | Weak pepsin inhibitor | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH2-2-E | Histamine H2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 300 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.