| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | Yes |
Popular Name: Triamterene Triamterene
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1189922-23-3 , 396-01-0
2,4,7-pteridinetriamine, 6-phenyl-
2,4,7-Triamino-6-fenilpteridina
2,4,7-Triamino-6-fenilpteridina [Italian]
2,4,7-Triamino-6-phenylpteridine
2,4,7-Triamino-6-phenylpteridine, 98%
396-01-0; CPD000059118; SAM002554937; Triamterene
396-01-0; D00386; Dyrenium (TN); Triamterene (JP16/USP/INN)
396-01-0; Prestwick_480; Triamterene
5-26-17-00447 (Beilstein Handbook Reference)
6-Phenyl-2,4,7-pteridinetriamine
6-PHENYL-2,4,7-TRIAMINO PTERIDINE
6-Phenyl-2,4,7-triaminopteridine
6-Phenyl-pteridine-2,4,7-triamine
6-Phenylpteridine-2,4,7-triamine
CPD000059118; SAM002554937; Triamterene
Goldshield Brand of Triamterene
Pteridine, 2,4,7-triamino-6-phenyl-
SmithKline Beecham Brand of Triamterene
Triamterene [USAN:INN:BAN:JAN]
Wellspring Brand of Triamterene
| 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) | 0.82 | 2.67 | -11.38 | 6 | 7 | 0 | 130 | 253.269 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 3.17 | -25.15 | 7 | 7 | 1 | 131 | 254.277 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.63e-01 g/l | DrugBank-approved |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| biological_use | Antimalarial agent | IBScreen Bioactives |
| biological_use | Diuretic | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0318795A2 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| Therapy | Na+ channel blocker; diuretic | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-6747; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER, GREEN CAST | NIH Clinical Collection via PubChem |
| mechanism | Potassium transport inhibitor | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-6747; SUPPLIER_COMMENTS: YELLOW POWDER, GREEN CAST | NIH Clinical Collection via PubChem |
| Target | Sodium Channel | Selleck Chemicals |
| mechanism | Sodium reabsorption inhibitor | IBScreen Bioactives |
| mechanism | Sodium transport inhibitor | IBScreen Bioactives |
| Purity | USP24 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1-1-E | Pteridine Reductase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3400 | 0.40 | Binding ≤ 10μM |
| Z50425-15-O | Plasmodium Falciparum (cluster #15 Of 22), Other | Other | 8822 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTR1_LEIMA | Q01782 | Pteridine Reductase 1, Leima | 3400 | 0.40 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.44 | Functional ≤ 10μM |
