Details of the Drug

General Information of Drug (ID: DM0BQRS)

Drug Name
Spinosad
Synonyms Natroba (TN)
Indication
Disease Entry ICD 11 Status REF
Head and body lice 1G00.0 Approved [1]
Pediculus capitis infestation 1G00.0 Approved [2]
Affected Organisms
Head liceScabies (Sarcoptes scabei) and other insects
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 732
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 11
ADMET Property
Absorption
The drug is not absorbed if administered topically []
Chemical Identifiers
Formula
C41H65NO10
IUPAC Name
(2S,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Canonical SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@@H]3C2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI
InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28+,29-,30-,31?,33+,34+,36+,38+,39-,40-,41+/m1/s1
InChIKey
SRJQTHAZUNRMPR-MGGCLMNKSA-N
Cross-matching ID
PubChem CID
24721309
CAS Number
168316-95-8
UNII
XPA88EAP6V
DrugBank ID
DB08823
TTD ID
D09WCM
ACDINA ID
D00637

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pediculus humanus Nicotinic acetylcholine receptor (Pedhc nAChR) TT9JZPU E0VDF4_PEDHC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Carmellose sodium E00625 Not Available Disintegrant
Magnesium stearate E00208 11177 lubricant
Silicon dioxide E00670 Not Available Anticaking agent; Opacifying agent; Viscosity-controlling agent
Water E00035 962 Solvent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Spinosad 140 mg tablet 140 mg Chewable Tablet Oral
Spinosad 1620 mg tablet 1620 mg Chewable Tablet Oral
Spinosad 270 mg tablet 270 mg Chewable Tablet Oral
Spinosad 560 mg tablet 560 mg Chewable Tablet Oral
Spinosad 810 mg tablet 810 mg Chewable Tablet Oral
Spinosad 90 mg tablet 90 mg Chewable Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
2 Spinosad FDA Label