Chemical Information
Antiviral agent ID	DrugRepV_5504
Antiviral agent name	Selamectin
IUPAC Name	(1'R,2R,4'S,5S,6S,8'R,10'Z,12'S,13'S,14'E,16'E,20'R,21'Z,24'S)-6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[ 15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
SMILES (canonical)	CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7
SMILES (isomeric)	C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)O[C@@H]1C7CCCCC7
Molecular Formula	C43H63NO11
Molecular Weight (g/mol)	769.973
InChl	InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1
Structural Information
Clinical Information
Category	Antiparasitic
Primary Indication (Clinical trial phases)	Vet approved
Biological Information
Primary Indication (Disease Category)	Infectious Disease
Primary Indication (Disease)	Vet-Antihelminthic
Secondary Indication	SARS Coronavirus-2 (SARS-CoV-2) NA GX_P2V/pangolin/2017/Guangxi
Secondary Indication (Approaches)	Experimental/Computational
Secondary Indication (Methods)	In-vitro
Secondary Indication (Model system) [cell lines/ animal models]	Vero E6
Secondary Indication (Viral titer)	0.05 MOI
Secondary Indication (Mode of drug delivery)	Culture
Secondary Indication (Time of drug delivery)	Post infection
Secondary Indication (Duration of drug delivery)	48 hours
Secondary Indication (Cell based assay)	qRT-PCR
Secondary Indication (Change)	Decrease
Reference	Fan HH, Wang LQ, Liu WL, An XP, Liu ZD, He XQ, Song LH, Tong YG..Repurposing of clinically approved drugs for treatment of coronavirus disease 2019 in a 2019-novel coronavirus (2019-nCoV) related coronavirus model..Chin Med J (Engl). 2020 Mar 6. doi: 10.1097/CM9.0000000000000797. Epub ahead of print. PMID:32149769
Comment	Three drugs-cepharanthine (CEP), selamectin and mefloquine hydrochloride exhibited complete inhibition of cytopathic effects in cell culture at 10 μmol/L. CEP demonstrated the most potent inhibition of GX_P2V infection, with a concentration for 50% of maximal effect [EC50] of 0.98 μmol/L.