| Chemical Information | |
| Antiviral agent ID | DrugRepV_0518 | |
| Antiviral agent name | Vinblastine |  |
| IUPAC Name | methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0?,¹².0?,¹?]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,?.0²,?.0¹?,¹?]nonadeca-2,4,6,13-tetraene-10-carboxylate |  |
| SMILES (canonical) | CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O | |
| SMILES (isomeric) | CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O | |
| Molecular Formula | C46H58N4O9 | |
| Molecular Weight (g/mol) | 810.99 | |
| InChl | InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | |
| Common Name | Vinblastine | |
| Synonyms | Vinblastin | Vinblastina | Vinblastine | Vinblastinum | Vincaleukoblastine | |
| Structural Information | |
 |
|
| Clinical Information | |
|
Category | Antineoplastic and Immunomodulating Agents
| |
|
Primary Indication (Clinical trial phases) | Approved
|  |
| Biological Information | |
|
Primary Indication (Disease Category) | Non Infectious Disease
| |
|
Primary Indication (Disease) | Cancer (Hodgkin lymphoma | Non-Hodgkin's lymphoma |Testicular | Breast | Lung (Non-small cell lung cancer) | Head and neck | Bladder cancers | Melanoma | Soft tissue sarcoma |Kaposi's sarcoma | Mycosis fungoides (t-cell lymphoma) | Choriocarcinoma)
| |
|
Secondary Indication | Ebola virus (EBOV) NA EBOVBlaVP40 |   |
|
Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
|
Secondary Indication (Model system) [cell lines/ animal models] | HeLa
| |
|
Secondary Indication (Mode of viral infection) | Adsorption
| |
|
Secondary Indication (Viral titer) | 23 nL/well
| |
|
Secondary Indication (Mode of drug delivery) | Culture
| |
|
Secondary Indication (Time of drug delivery) | Pre infection (1 hour)
| |
|
Secondary Indication (Drug concentration) | 0.048 μM
| |
|
Secondary Indication (Cell based assay) | Fluorescence-based assay
| |
|
Secondary Indication (Change) | Decrease
| |
|
Secondary Indication (Type of Inhibition) | IC50 [ 50 % ] | |
|
Secondary Indication (Cytotoxicity) | >500 μM | |
|
Reference | Kouznetsova J, Sun W, Martínez-Romero C, Tawa G, Shinn P, Chen CZ, Schimmer A, Sanderson P, M.Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen o.Emerg Microbes Infect. 2014 Dec;3(12):e84. doi: 10.1038/emi.2014.88. Epub 2014 Dec 17. PMID:26038505
|  |
|
Comment | Approved drugs inhibiting Ebola virus entry into host cells. 53 drugs were identified with activity of blocking Ebola VLP entry into cells. These 53 active compounds can be divided into categories including microtubule inhibitors, estrogen receptor modulators, antihistamines, antipsychotics, pump/channel antagonists, and anticancer/antibiotics
| |