| Chemical Information | |
| Antiviral agent ID | DrugRepV_1545 | |
| Antiviral agent name | Daptomycin |  |
| IUPAC Name | (3S)-3-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]carbamoyl}-3-[(2S)-3-carbamoyl-2-[(2S)-2-decanamido-3-(1H-indol-3-yl)propanamido]propanamido]propanoic acid |  |
| SMILES (canonical) | CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C | |
| SMILES (isomeric) | CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C | |
| Molecular Formula | C72H101N17O26 | |
| Molecular Weight (g/mol) | 1620.69 | |
| InChl | InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,1 | |
| Common Name | Daptomycin | |
| Synonyms | Cubicin | Cidecin | Daptomicina | Daptomycine | Daptomycinum | |
| Structural Information | |
 |
|
| Clinical Information | |
|
Category | Antiinfectives For Systemic Use
| |
|
Primary Indication (Clinical trial phases) | Approved
|  |
| Biological Information | |
|
Primary Indication (Disease Category) | Infectious Disease
| |
|
Primary Indication (Disease) | Bacterial infections
| |
|
Secondary Indication | Zika virus (ZIKV) NA MEX_I_7 |   |
|
Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
|
Secondary Indication (Model system) [cell lines/ animal models] | hNSC
| |
|
Secondary Indication (Mode of viral infection) | Adsorption
| |
|
Secondary Indication (Viral titer) | 3 MOI
| |
|
Secondary Indication (Mode of drug delivery) | Culture
| |
|
Secondary Indication (Time of drug delivery) | Before inoculation (1 hour)
| |
|
Secondary Indication (Duration of drug delivery) | 96 hours
| |
|
Secondary Indication (Drug concentration) | 1 μM
| |
|
Secondary Indication (Cell based assay) | Flow cytometry
| |
|
Secondary Indication (Change) | Increase
| |
|
Secondary Indication (Type of Inhibition) | Percentage increase [ 120 % ] | |
|
Secondary Indication (Cytotoxicity) | 0 % | |
|
Reference | Barrows NJ, Campos RK, Powell ST, Prasanth KR, Schott-Lerner G, Soto-Acosta R, Galarza-Muñoz.A Screen of FDA-Approved Drugs for Inhibitors of Zika Virus Infection..Cell Host Microbe. 2016 Aug 10;20(2):259-70. doi: 10.1016/j.chom.2016.07.004. Epub 2016 Jul 28. PMID:27476412
|  |
|
Comment | Several drugs reduced ZIKV infection across multiple cell types. This study identifies drugs that could be tested in clinical studies of ZIKV infection and provides a resource of small molecules to study ZIKV pathogenesis.
| |