Thiocolchicoside

M03B - Muscle relaxants, centrally acting agents ATC M03BX05 Small molecule Natural product

JFDA label: Thiomed 4mg/2ml

Indications

Off-label

Low Back Pain

Chemistry & Properties

Formula	C27H33NO10S
Molecular weight	563.63 g/mol
IUPAC name	N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CAS	602-41-5
PubChem CID	9915886
InChIKey	`LEQAKWQJCITZNK-AXHKHJLKSA-N`
logP	0.75 (XLogP -0.4)
Polar surface area	164.01 Å²
H-bond acceptors / donors	11 / 5
Drug-likeness (QED)	0.30
Lipinski violations	2

SMILES

COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2

Biology & Pharmacokinetics

Pharmacokinetics predicted

Bioavailability	70.0%
Half-life	2.709 h
Volume of distribution	1.212 L/kg
Protein binding	87.3%
BBB penetrant	No

Enzyme interactions

Enzyme	Role	Detail
CYP2B6	Inhibitor	—

Transporters

BCRP (Inhibitor)BSEP (Inhibitor)BSEP (Inhibitor)MRP1 (Inhibitor)MRP4 (Inhibitor)OATP1B1 (Inhibitor)OATP1B3 (Inhibitor)P-gp (Inhibitor)P-gp (Substrate)

Registered Products (1)

Brand	Form / strength	Pack	Agent	Citizen (JOD)
Thiomed	Ampoule 4 mg/2 ml	6 amp	Land Of Medicine Drug Store	2.700