| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 17 | Yes |
Popular Name: Didanosine Didanosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 124516-24-1 , 69655-05-6 , 69655-05-6 , [69655-05-6]
2',3'-Dideoxy-1,9-dihydro-9-beta- D -ribofuranosyl-6 H -purin-6-one
2',3'-Dideoxy-1,9-dihydro-9-beta- D -ribofuranosyl-6 H -purin-6-one; 2',3'-Dideoxyinosine
2',3'-Dideoxyinosine & Granulocyte-macrophage colony-stimulating factor
2',3'-Dideoxyinosine & Interferon-.alpha.
2',3'-Dideoxyinosine & sCD4(soluble recombinant protein)
2',3'-Dideoxyinosine (AIDS Initiative)
2',3'-dideoxyinosine, DDI, NSC 612049, Didanosine
2',3'-Dideoxyinosine-[2',3'-3h]
2',3'-DIDEOXYINOSINE; CPD000058576; SAM001246673
3'-Azido-3'-deoxythymidine + 2',3'-Dideoxyinosine
69655-05-6; C06953; Didanosine
69655-05-6; D00296; Didanosine (JAN/USAN/INN); Videx (TN)
9-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one
9-((2R,5S)-5-Hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ol
9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine
9-(2,3-Dideoxy-beta-D-ribofuranosyl)hypoxanthine
9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one
9-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-ol
CHEBI:475381; CHEBI:158219; CHEBI:39738; CHEBI:668806; CHEBI:4516
CPD000058576; 2',3'-DIDEOXYINOSINE
didanosina; didanosine; didanosinum
Didanosine and Interferon-.alpha.-2
Inosine, 2',3'-dideoxy- & Recombinant Interferon-.alpha.-2
Lecithinized superoxide dismutase & Inosine, 2',3'-dideoxy-
Listera ovata agglutinin & 2',3'-Dideoxyinosine
Sulfated polysaccharide-peptidoglycan DS-4152 & 2',3'-Dideoxyinosine
| 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) | -0.95 | 1.07 | -21.3 | 2 | 7 | 0 | 93 | 236.231 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.49 | -0.99 | -55.12 | 1 | 7 | -1 | 96 | 235.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182 | TCI |
| ALOGPS_SOLUBILITY | 6.58e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Indications | antiviral | KeyOrganics Bioactives |
| biological_use | Antiviral agent | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Cell proliferation inhibitor | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02715d | NIH Clinical Collection via PubChem |
| biological_use | Nucleoside transporter substrate. | IBScreen Bioactives |
| Target | NULL | Selleck Chemicals |
| UniProt Database Links | POL_HV190; POL_HV192; POL_HV193; POL_HV196; POL_HV197; POL_HV19N; POL_HV1A2; POL_HV1AN; POL_HV1B1; POL_HV1B5; POL_HV1B9; POL_HV1BR; POL_HV1EL; POL_HV1ET; POL_HV1H2; POL_HV1JR; POL_HV1LW; POL_HV1M2; POL_HV1MA; POL_HV1MN; POL_HV1MP; POL_HV1MV; POL_HV1N5; PO | ChEBI |
| biological_use | Potentially of use against HIV infection and used in combination with other antiretroviral drug therapy as part of highly active | IBScreen Bioactives |
| mechanism | Reverse Transcriptase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02715d | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 1), Viral | Viruses | 7150 | 0.42 | Functional ≤ 10μM |
| Z100081-3-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #3 Of 4), Other | Other | 5000 | 0.44 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 9900 | 0.41 | Functional ≤ 10μM |
| Z50658-1-O | Human Immunodeficiency Virus 2 (cluster #1 Of 4), Other | Other | 8000 | 0.42 | Functional ≤ 10μM |
| Z80052-1-O | C8166 (Leukemic T-cells) (cluster #1 Of 3), Other | Other | 900 | 0.50 | Functional ≤ 10μM |
| Z80079-1-O | CEM-V (cluster #1 Of 1), Other | Other | 2800 | 0.46 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 5500 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 1000 | 0.49 | Functional ≤ 10μM |
| Z80079 | Z80079 | CEM-V | 2800 | 0.46 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 100 | 0.58 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 2710 | 0.46 | Functional ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 5370 | 0.43 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 10000 | 0.41 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 5000 | 0.44 | Functional ≤ 10μM |
