| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2005 | 22 | No |
Popular Name: Oseltamivir phosphate Oseltamivir phosphate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 196618-13-0 , 204255-11-8 , 204255-11-8 , [204255-11-8]
(3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid
(3R,4R,5S)-4-Acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid
(3R,5S)-Ethyl 4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate phosphate
196618-13-0; Agucort (TN); D08306; Oseltamivir (INN)
204255-11-8; C08093; Oseltamivir phosphate
204255-11-8; D00900; Oseltamivir phosphate (JAN/USAN); Tamiflu (TN)
4-Acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid
Ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Ethyl (5S,3R,4R)-4-(acetylamino)-5-amino-3-(ethylpropoxy)cyclohex-1-enecarboxylate
ETHYLACETAMIDOAMINOPENTANYLOXYCYCLOHEXENECARBOXYLATEPHOSPHAT
INN); Oseltamivir Phosphate (FDA
Oseltamivir phosphate (Tamiflu)
phosphoric acid ethyl (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
Ro-640796; Ro-640796002; Ro-64-0796-002
| 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) | 0.85 | 5.84 | -62.6 | 4 | 6 | 1 | 92 | 313.418 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 5.55 | -12.89 | 3 | 6 | 0 | 91 | 312.41 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.86e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Target | Antifection | Selleck Chemicals |
| Indications | antiviral | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP1059283A1 | IBM Patent Data |
| Indications | influenza | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | NRAM_I000F; NRAM_I00A0; NRAM_I00A1; NRAM_I01A0; NRAM_I01A1; NRAM_I01A2; NRAM_I01A3; NRAM_I02A1; NRAM_I02A2; NRAM_I02A3; NRAM_I02A4; NRAM_I02A5; NRAM_I02A6; NRAM_I02A7; NRAM_I03A0; NRAM_I03A1; NRAM_I05A1; NRAM_I06A0; NRAM_I07A0; NRAM_I18A0; NRAM_I33A0; NRA | ChEBI |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821-1-O | H2N2 Subtype (cluster #1 Of 3), Other | Other | 1450 | 0.37 | Functional ≤ 10μM |
| Z101822-1-O | H3N2 Subtype (cluster #1 Of 2), Other | Other | 260 | 0.42 | Functional ≤ 10μM |
| Z50142-2-O | Influenza A Virus (A/PR/8/34(H1N1)) (cluster #2 Of 2), Other | Other | 8600 | 0.32 | Functional ≤ 10μM |
| Z50523-1-O | Influenza B Virus (cluster #1 Of 1), Other | Other | 2600 | 0.36 | Functional ≤ 10μM |
| Z50652-1-O | Influenza A Virus (cluster #1 Of 4), Other | Other | 100 | 0.45 | Functional ≤ 10μM |
| A5Z252-1-V | Neuraminidase (cluster #1 Of 1), Viral | Viruses | 8 | 0.52 | Binding ≤ 10μM |
| C4LRQ6-1-V | Neuraminidase (cluster #1 Of 1), Viral | Viruses | 1 | 0.57 | Binding ≤ 10μM |
| NRAM-1-V | Neuraminidase (cluster #1 Of 2), Viral | Viruses | 2 | 0.55 | Binding ≤ 10μM |
| Q2LFS1-1-V | Neuraminidase (cluster #1 Of 1), Viral | Viruses | 5 | 0.53 | Binding ≤ 10μM |
| Q6Q793-1-V | Neuraminidase (cluster #1 Of 1), Viral | Viruses | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C4LRQ6_9INFA | C4LRQ6 | Neuraminidase, 9infa | 0.1 | 0.64 | Binding ≤ 1μM |
| A5Z252_9INFA | A5Z252 | Neuraminidase, 9infa | 10.8 | 0.51 | Binding ≤ 1μM |
| NRAM_I68A0 | Q75VQ4 | Neuraminidase, I68a0 | 1.55 | 0.56 | Binding ≤ 1μM |
| Q6Q793_9INFA | Q6Q793 | Neuraminidase, 9infa | 0.1 | 0.64 | Binding ≤ 1μM |
| Q2LFS1_9INFA | Q2LFS1 | Neuraminidase, 9infa | 3.7 | 0.54 | Binding ≤ 1μM |
| NRAM_INBLE | P03474 | Neuraminidase, Inble | 1.1 | 0.57 | Binding ≤ 1μM |
| NRAM_I34A1 | P03468 | Neuraminidase, I34a1 | 7.09 | 0.52 | Binding ≤ 1μM |
| NRAM_I68A0 | Q75VQ4 | Neuraminidase, I68a0 | 1.55 | 0.56 | Binding ≤ 10μM |
| Q6Q793_9INFA | Q6Q793 | Neuraminidase, 9infa | 0.1 | 0.64 | Binding ≤ 10μM |
| Q2LFS1_9INFA | Q2LFS1 | Neuraminidase, 9infa | 3.7 | 0.54 | Binding ≤ 10μM |
| NRAM_INBLE | P03474 | Neuraminidase, Inble | 1.1 | 0.57 | Binding ≤ 10μM |
| NRAM_I34A1 | P03468 | Neuraminidase, I34a1 | 7.09 | 0.52 | Binding ≤ 10μM |
| C4LRQ6_9INFA | C4LRQ6 | Neuraminidase, 9infa | 0.1 | 0.64 | Binding ≤ 10μM |
| A5Z252_9INFA | A5Z252 | Neuraminidase, 9infa | 10.8 | 0.51 | Binding ≤ 10μM |
| Z101821 | Z101821 | H2N2 Subtype | 1450 | 0.37 | Functional ≤ 10μM |
| Z101822 | Z101822 | H3N2 Subtype | 260 | 0.42 | Functional ≤ 10μM |
| Z50652 | Z50652 | Influenza A Virus | 0.25 | 0.61 | Functional ≤ 10μM |
| Z50142 | Z50142 | Influenza A Virus (A/PR/8/34(H1N1)) | 2000 | 0.36 | Functional ≤ 10μM |
| Z50523 | Z50523 | Influenza B Virus | 2100 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of Viral Components at the Budding Site | |
| Budding | |
| Entry of Influenza Virion into Host Cell via Endocytosis | |
| Fusion of the Influenza Virion to the Host Cell Endosome | |
| Influenza Life Cycle | |
| Influenza Virus Induced Apoptosis | |
| Packaging of Eight RNA Segments | |
| Release | |
| Transport of HA trimer, NA tetramer and M2 tetramer from the endoplasmic reticul | |
| Uncoating of the Influenza Virion | |
| Viral mRNA Translation |
