| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 19 | No |
Popular Name: Zidovudine Zidovudine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 30516-87-1 , [30516-87-1]
"3'-Azido-3'-deoxythymidine, 98%"
1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
1-(3-Azido-2,3-dideoxy-beta-D-ribofuranosyl)thymine
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
1-[4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
3' Azido 2',3' Dideoxythymidine
3'-Azido-2',3'-Dideoxythymidine
3'-Azido-3'-deoxythymidine & Concanavalin A
3'-Azido-3'-deoxythymidine & Erythropoietin
3'-Azido-3'-deoxythymidine & Heteropolyoxotungstate PM-19
3'-Azido-3'-deoxythymidine & Interleukin-1
3'-Azido-3'-deoxythymidine & Interleukin-2
3'-Azido-3'-deoxythymidine & Interleukin-6
3'-Azido-3'-deoxythymidine & Lithium & Erythropoietin
3'-Azido-3'-deoxythymidine & Lithium & Interleukin-1
3'-Azido-3'-deoxythymidine & Lithium & Interleukin-6
3'-Azido-3'-deoxythymidine & Lymphoblastoid Interferon
3'-Azido-3'-deoxythymidine & Sho-Saiko-To
3'-Azido-3'-deoxythymidine (AIDS)
3'-Azido-3'-deoxythymidine, 98%
3'-azido-3'-deoxythymidine, AZT
3'-Azido-3'-deoxythymidine; 30516-87-1; AZT; Azidothymidine; C07210; Zidovudine
3'-Azido-3'-deoxythymidine; AZT; Azidothymidine; Zidovudin; Zidovudine; Zidovudinum
3'-Azido-3'deoxythymidine & Interferon .alpha.
30516-87-1; CPD000058351; SAM002548971; zidovudine
30516-87-1; D00413; Retrovir (TN); Zidovudine (JP16/USP/INN)
AZT & Colony-stimulating factor 2
AZT & Lymphoblastoid Interferon
AZT TRANSPLACENTAL CARCINOGENESIS STUDY
AZT; BW-A-509U; BW-A509U; Compound S
AZT; BW-A509U; BW-A-509U; Compound S
AZT; CPD000058351; SAM002548971; Zidovudine
C10H13N5O4.C8H11N3O3S; COMBIVIR; LAMIVUDINE; ZIDOVUDINE; LS-178518
Interferon AD + 3'-azido-3'-deoxythymidine
Propolis & Thymidine, 3'-azido-3'-deoxy-
racemic-dipalmitoylglycerophospho-AZT (in a lipid vesicle)
SN-1-dipalmitoylglycerophospho-AZT (in a lipid vesicle)
| 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) | -0.10 | -3.76 | -14.65 | 2 | 9 | 0 | 134 | 267.245 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.63e+01 g/l | DrugBank-approved |
| MP | 122 - 124 | Enamine Building Blocks |
| MP | 122...124 | Enamine Building Blocks |
| MP | 124 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | ABCG2_HUMAN; KITH_VACCA; KITH_VACCC; KITH_VACCT; KITH_VACCW; KITH_VAR67; KTHY_MYCTU; 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_H | ChEBI |
| Indications | antiviral | KeyOrganics Bioactives |
| biological_use | Antiviral agent active exclusively against retroviruses, esp. AIDS virus and leukaemias | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antiviral agent active exclusively against retroviruses, esp. AIDS virus and leukaemias; Drugs of choice for AIDS treatment | ZereneX Building Blocks |
| biological_use | Drugs of choice for AIDS treatment | IBScreen Bioactives |
| Indications | HIV & AIDS | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392060 | NIH Clinical Collection via PubChem |
| mechanism | Nucleoside transporter substrate | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| Target | Reverse Transcriptase | Selleck Chemicals |
| mechanism | Reverse Transcriptase Inhibitor | IBScreen Bioactives IBScreen Bioactives |
| Therapy | RT transferase inhibitor, antiviral | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392060 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7000 | 0.38 | Binding ≤ 10μM |
| CXCR4-1-E | C-X-C Chemokine Receptor Type 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.60 | Functional ≤ 10μM |
| Z80295-1-O | MT4 (Lymphocytes) (cluster #1 Of 1), Other | Other | 20 | 0.57 | Binding ≤ 10μM |
| Z100081-2-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other | Other | 4 | 0.62 | Functional ≤ 10μM |
| Z102020-1-O | Porcine Endogenous Retrovirus (cluster #1 Of 1), Other | Other | 23 | 0.56 | Functional ≤ 10μM |
| Z50459-2-O | Leishmania Donovani (cluster #2 Of 8), Other | Other | 3400 | 0.40 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 7 | 0.60 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 46 | 0.54 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 9600 | 0.37 | Functional ≤ 10μM |
| Z50609-1-O | Simian Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 12 | 0.58 | Functional ≤ 10μM |
| Z50658-1-O | Human Immunodeficiency Virus 2 (cluster #1 Of 4), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z50664-1-O | Rauscher Murine Leukemia Virus (cluster #1 Of 1), Other | Other | 23 | 0.56 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z50737-1-O | Human Immunodeficiency Virus 3 (cluster #1 Of 1), Other | Other | 40 | 0.55 | Functional ≤ 10μM |
| Z80052-1-O | C8166 (Leukemic T-cells) (cluster #1 Of 3), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z80071-1-O | CEM-0 (T-cell Leukemia) (cluster #1 Of 2), Other | Other | 6 | 0.61 | Functional ≤ 10μM |
| Z80073-1-O | CEM-c113 (cluster #1 Of 1), Other | Other | 6 | 0.61 | Functional ≤ 10μM |
| Z80076-1-O | CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other | Other | 95 | 0.52 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 6180 | 0.38 | Functional ≤ 10μM |
| Z80285-1-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other | Other | 6 | 0.61 | Functional ≤ 10μM |
| Z80294-1-O | MT2 (Lymphocytes) (cluster #1 Of 1), Other | Other | 6 | 0.61 | Functional ≤ 10μM |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 10 | 0.59 | Functional ≤ 10μM |
| Z80384-1-O | PBL (Peripheral Blood Lymphocytes) (cluster #1 Of 1), Other | Other | 29 | 0.56 | Functional ≤ 10μM |
| Z80516-1-O | SUP-T1 (cluster #1 Of 1), Other | Other | 50 | 0.54 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 40 | 0.55 | Functional ≤ 10μM |
| Z80683-1-O | ATH8 Cell Line (cluster #1 Of 1), Other | Other | 400 | 0.47 | Functional ≤ 10μM |
| Z80688-1-O | B(EBV+) Cell Line (cluster #1 Of 1), Other | Other | 1 | 0.66 | Functional ≤ 10μM |
| Z80721-1-O | BxT Cell Line (cluster #1 Of 1), Other | Other | 55 | 0.53 | Functional ≤ 10μM |
| Z80737-1-O | C3H/3T3 (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other | Other | 20 | 0.57 | Functional ≤ 10μM |
| Z80760-1-O | CFU-GM Cell Line (cluster #1 Of 1), Other | Other | 1500 | 0.43 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 870 | 0.45 | Functional ≤ 10μM |
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z81072-2-O | Jurkat (Acute Leukemic T-cells) (cluster #2 Of 10), Other | Other | 10 | 0.59 | Functional ≤ 10μM |
| Z81223-1-O | M Cell Line (cluster #1 Of 1), Other | Other | 15 | 0.58 | Functional ≤ 10μM |
| Z81247-7-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #7 Of 9), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 4), Other | Other | 700 | 0.45 | ADME/T ≤ 10μM |
| Z80897-1-O | H9 (T-lymphoid Cells) (cluster #1 Of 2), Other | Other | 45 | 0.54 | ADME/T ≤ 10μM |
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 6 | 0.61 | Binding ≤ 10μM |
| Q72874-1-V | Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral | Viruses | 6 | 0.61 | Binding ≤ 10μM |
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 1), Viral | Viruses | 8 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 126 | 0.51 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 10 | 0.59 | Binding ≤ 1μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 20 | 0.57 | Binding ≤ 1μM |
| Q72874_9HIV1 | Q72874 | Human Immunodeficiency Virus Type 1 Protease, 9hiv1 | 126 | 0.51 | Binding ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 10 | 0.59 | Binding ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 20 | 0.57 | Binding ≤ 10μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 2900 | 0.41 | Binding ≤ 10μM |
| Z80683 | Z80683 | ATH8 Cell Line | 400 | 0.47 | Functional ≤ 10μM |
| Z80688 | Z80688 | B(EBV+) Cell Line | 1 | 0.66 | Functional ≤ 10μM |
| Z80721 | Z80721 | BxT Cell Line | 55 | 0.53 | Functional ≤ 10μM |
| CXCR4_HUMAN | P61073 | C-X-C Chemokine Receptor Type 4, Human | 48 | 0.54 | Functional ≤ 10μM |
| Z80737 | Z80737 | C3H/3T3 (Embryonic Fibroblast Cells) | 20 | 0.57 | Functional ≤ 10μM |
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 15 | 0.58 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 0.32 | 0.70 | Functional ≤ 10μM |
| Z80071 | Z80071 | CEM-0 (T-cell Leukemia) | 3 | 0.63 | Functional ≤ 10μM |
| Z80073 | Z80073 | CEM-c113 | 6 | 0.61 | Functional ≤ 10μM |
| Z80076 | Z80076 | CEM-SS (T-cell Leukemia) | 1.9 | 0.64 | Functional ≤ 10μM |
| Z80760 | Z80760 | CFU-GM Cell Line | 1500 | 0.43 | Functional ≤ 10μM |
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 15 | 0.58 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 13 | 0.58 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 10 | 0.59 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 10 | 0.59 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.1 | 0.74 | Functional ≤ 10μM |
| Z50658 | Z50658 | Human Immunodeficiency Virus 2 | 0.2 | 0.71 | Functional ≤ 10μM |
| Z50737 | Z50737 | Human Immunodeficiency Virus 3 | 40 | 0.55 | Functional ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 2 | 0.64 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 10 | 0.59 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 6180 | 0.38 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 3400 | 0.40 | Functional ≤ 10μM |
| Z81223 | Z81223 | M Cell Line | 15 | 0.58 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 6.2 | 0.60 | Functional ≤ 10μM |
| Z80294 | Z80294 | MT2 (Lymphocytes) | 10000 | 0.37 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 0.7 | 0.67 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 35 | 0.55 | Functional ≤ 10μM |
| Z80384 | Z80384 | PBL (Peripheral Blood Lymphocytes) | 29 | 0.56 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 0.14 | 0.73 | Functional ≤ 10μM |
| Z102020 | Z102020 | Porcine Endogenous Retrovirus | 23 | 0.56 | Functional ≤ 10μM |
| Z50664 | Z50664 | Rauscher Murine Leukemia Virus | 23 | 0.56 | Functional ≤ 10μM |
| Z50609 | Z50609 | Simian Immunodeficiency Virus | 0.5 | 0.69 | Functional ≤ 10μM |
| Z80516 | Z80516 | SUP-T1 | 50 | 0.54 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 30 | 0.55 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 700 | 0.45 | ADME/T ≤ 10μM |
| Z80897 | Z80897 | H9 (T-lymphoid Cells) | 10 | 0.59 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Binding and entry of HIV virion | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events | |
| Pyrimidine salvage reactions |
