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]
------------------------------------------------------------------------------------

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

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

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