ivermectin

Ligand id: 2373

Name: ivermectin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 170.06
Molecular weight 874.51
XLogP 2.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1996), UK (2015))
IUPAC Name
(1'R,2R,4'S,10'E,14'E,16'E,21'R)-6-(butan-2-yl)-21',24'-dihydroxy-12'-{[(2R,4S,6S)-5-{[(2S,4S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
International Nonproprietary Names
INN number INN
4828 ivermectin
Synonyms
Heartgard® | ivermectin B1a | MK-933 | Sklice® | Soolantra®
Database Links
CAS Registry No. 70288-86-7 (source: Scifinder)
ChEBI CHEBI:6078
DrugBank Ligand DB00602
PubChem CID 6427057
Search Google for chemical match using the InChIKey AZSNMRSAGSSBNP-ZLRQRZFZSA-N
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Search UniChem for chemical match using the InChIKey AZSNMRSAGSSBNP-ZLRQRZFZSA-N
Search UniChem for chemicals with the same backbone AZSNMRSAGSSBNP
Wikipedia Ivermectin
Comments
Ivermectin is a broad-spectrum anti-parasitic drug. The approved drug is a mixture of mainly avermectin H2B1a (CAS # 71827-03-7) with some avermectin H2B1b (CAS # 70209-81-3). The avermectins are bacterial marcrolides isolated from Streptomyces avermitilis.