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| # | id | trial_id | kind | title | description | id | intervention_id | drug_id | id | type | drugbank_id | name | state | description | cas_number | protein_formula | protein_weight | investigational | approved | vet_approved | experimental | nutraceutical | illicit | withdrawn | moldb_mono_mass | moldb_inchi | moldb_inchikey | moldb_smiles | moldb_average_mass | moldb_formula | synthesis_patent_id | protein_weight_details | biotech_kind |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 1b8dccc7-e7c8-4ac2-9e65-7e83ea2cb4fa | NCT00000658 | drug | Cytarabine | 78 | 1b8dccc7-e7c8-4ac2-9e65-7e83ea2cb4fa | 987 | 987 | SmallMoleculeDrug | DB00987 | Cytarabine | solid | A pyrimidine nucleoside analog that is used mainly in the treatment of leukemia, especially acute non-lymphoblastic leukemia. Cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. Its actions are specific for the S phase of the cell cycle. It also has antiviral and immunosuppressant properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p472) | 147-94-4 | t | t | f | f | f | f | f | 243.085520541 | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 | UHDGCWIWMRVCDJ-CCXZUQQUSA-N | NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | 243.2166 | C9H13N3O5 | 5641758 | \N | ||||
| 2 | eb9a2a8f-f659-4665-86c9-05d868b9ccf8 | NCT00000491 | drug | aspirin | 81 | eb9a2a8f-f659-4665-86c9-05d868b9ccf8 | 945 | 945 | SmallMoleculeDrug | DB00945 | Acetylsalicylic acid | solid | The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Acetylsalicylic acid also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5) | 50-78-2 | f | t | t | f | f | f | f | 180.042258744 | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | BSYNRYMUTXBXSQ-UHFFFAOYSA-N | CC(=O)OC1=CC=CC=C1C(O)=O | 180.1574 | C9H8O4 | 4563443 | \N | ||||
| 3 | ba32090c-91f0-45be-b047-292eaff7c1dc | NCT00000221 | drug | Buprenorphine | 116 | ba32090c-91f0-45be-b047-292eaff7c1dc | 921 | 921 | SmallMoleculeDrug | DB00921 | Buprenorphine | solid | Buprenorphine is a derivative of the opioid alkaloid thebaine that is a more potent (25 - 40 times) and longer lasting analgesic than morphine. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use. | 52485-79-7 | t | t | t | f | f | t | f | 467.303558805 | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | RMRJXGBAOAMLHD-IHFGGWKQSA-N | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 | 467.6401 | C29H41NO4 | 6090405 | \N | ||||
| 4 | b28b04fb-b362-4747-a4b6-5eb657d35c85 | NCT00000222 | drug | Buprenorphine | 154 | b28b04fb-b362-4747-a4b6-5eb657d35c85 | 921 | 921 | SmallMoleculeDrug | DB00921 | Buprenorphine | solid | Buprenorphine is a derivative of the opioid alkaloid thebaine that is a more potent (25 - 40 times) and longer lasting analgesic than morphine. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use. | 52485-79-7 | t | t | t | f | f | t | f | 467.303558805 | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | RMRJXGBAOAMLHD-IHFGGWKQSA-N | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4 | 467.6401 | C29H41NO4 | 6090405 | \N | ||||
| 5 | d6731280-f260-464c-8d29-abc75049f9f5 | NCT00001832 | drug | Cyclophosphamide | 2x30 mg/kg, 2x60 mg/kg intravenous | 280 | d6731280-f260-464c-8d29-abc75049f9f5 | 531 | 531 | SmallMoleculeDrug | DB00531 | Cyclophosphamide | solid | Precursor of an alkylating nitrogen mustard antineoplastic and immunosuppressive agent that must be activated in the liver to form the active aldophosphamide. It has been used in the treatment of lymphoma and leukemia. Its side effect, alopecia, has been used for defleecing sheep. Cyclophosphamide may also cause sterility, birth defects, mutations, and cancer. | 50-18-0 | t | t | f | f | f | f | f | 260.024819660 | InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) | CMSMOCZEIVJLDB-UHFFFAOYSA-N | ClCCN(CCCl)P1(=O)NCCCO1 | 261.0860 | C7H15Cl2N2O2P | 6268138 | \N | |||
| 6 | d58cd61a-c02f-4c27-9966-f660d25317ee | NCT00000637 | drug | Zidovudine | 326 | d58cd61a-c02f-4c27-9966-f660d25317ee | 495 | 495 | SmallMoleculeDrug | DB00495 | Zidovudine | solid | A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. [PubChem] | 30516-87-1 | f | t | f | f | f | f | f | 267.096753929 | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | HBOMLICNUCNMMY-XLPZGREQSA-N | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O | 267.2413 | C10H13N5O4 | \N | |||||
| 7 | 340dd350-69a5-4819-a2d6-ec49bbddb9ca | NCT00001075 | drug | Lamivudine | 403 | 340dd350-69a5-4819-a2d6-ec49bbddb9ca | 709 | 709 | SmallMoleculeDrug | DB00709 | Lamivudine | solid | A reverse transcriptase inhibitor and zalcitabine analog in which a sulfur atom replaces the 3' carbon of the pentose ring. It is used to treat Human Immunodeficiency Virus Type 1 (HIV-1) and hepatitis B (HBV). | 134678-17-4 | t | t | f | f | f | f | f | 229.052111923 | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 | JTEGQNOMFQHVDC-NKWVEPMBSA-N | NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1 | 229.2560 | C8H11N3O3S | 20100249409 | \N | ||||
| 8 | a281813a-ac74-4b01-bb94-70df9a386a5b | NCT00000995 | drug | Zidovudine | 496 | a281813a-ac74-4b01-bb94-70df9a386a5b | 495 | 495 | SmallMoleculeDrug | DB00495 | Zidovudine | solid | A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. [PubChem] | 30516-87-1 | f | t | f | f | f | f | f | 267.096753929 | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | HBOMLICNUCNMMY-XLPZGREQSA-N | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O | 267.2413 | C10H13N5O4 | \N | |||||
| 9 | 160a0d50-65b8-4987-94c0-cf190db4bd3f | NCT00001498 | drug | cyclophosphamide | 596 | 160a0d50-65b8-4987-94c0-cf190db4bd3f | 531 | 531 | SmallMoleculeDrug | DB00531 | Cyclophosphamide | solid | Precursor of an alkylating nitrogen mustard antineoplastic and immunosuppressive agent that must be activated in the liver to form the active aldophosphamide. It has been used in the treatment of lymphoma and leukemia. Its side effect, alopecia, has been used for defleecing sheep. Cyclophosphamide may also cause sterility, birth defects, mutations, and cancer. | 50-18-0 | t | t | f | f | f | f | f | 260.024819660 | InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12) | CMSMOCZEIVJLDB-UHFFFAOYSA-N | ClCCN(CCCl)P1(=O)NCCCO1 | 261.0860 | C7H15Cl2N2O2P | 6268138 | \N | ||||
| 10 | ff1c9d4e-ad0c-499e-8878-40ed57768394 | NCT00000993 | drug | Zidovudine | 747 | ff1c9d4e-ad0c-499e-8878-40ed57768394 | 495 | 495 | SmallMoleculeDrug | DB00495 | Zidovudine | solid | A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. [PubChem] | 30516-87-1 | f | t | f | f | f | f | f | 267.096753929 | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | HBOMLICNUCNMMY-XLPZGREQSA-N | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O | 267.2413 | C10H13N5O4 | \N |