Lusutrombopag (CED0013514)

Record Information

Version

1.0

Creation Date

2026-04-05 13:50:53 UTC

Update Date

2026-08-22 09:00:39 UTC

SynCED ID

CED0013514

Secondary Accession Numbers

CHEM103300

Identification

Common Name

Lusutrombopag

Class

Small Molecule

Description

Lusutrombopag is an organic compound with the formula C29H32Cl2N2O5S. Lusutrombopag belongs to the cinnamic acids, a subclass of cinnamic acids and derivatives within the organic compounds. With an average molecular weight of 591.54 g/mol, Lusutrombopag is a heavy molecule. It acts as an agonist of the Thrombopoietin receptor (MPL). This compound is found in healthcare, pharmaceuticals, and veterinary products, specifically among vitamin k and other hemostatics, and is administered via the oral exposure route.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₃₂Cl₂N₂O₅S

Average Molecular Mass

591.540 g/mol

Monoisotopic Mass

590.141 g/mol

CAS Registry Number

1110766-97-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1

InChI Identifier

InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1

InChI Key

NOZIJMHMKORZBA-KJCUYJGMSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0016-2003290000-6da631ef85057cf2c555	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-7194380000-ae7e050bf0fc518075b3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000l-9220310000-51b562ec327262b3395b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0012190000-0cadaffca656cfd70cfb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-2031690000-373a16ffb75eed7c3fed	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1391400000-17e5f961c07c6b9aa2c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-0000980000-d71ce5831d0a5b7259f4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4u-2000930000-ff7b2f34e0e02a0a9f96	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05mo-9000820000-5473b33c3bc97787665a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000190000-59509577524a7c90d0ee	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052s-4030960000-7f0e9745decaa01fc18f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000420000-a91033f2bed7862716a3	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
8538.0 Log mg/kg [4800:15000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000275	Vitamin k and other hemostatics?Vitamin K is a fat-soluble vitamin essential for the synthesis of proteins required for blood coagulation and bone metabolism.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathwayPathway Source: PathBank

Lusutrombopag Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.302 Statistical Significance 0.2256 Supporting Reference Compounds 834 E-value 1756.59
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.302 Statistical Significance 0.4016 Supporting Reference Compounds 1538 E-value 3126.27
Click to view 3D structure	Fe(3+)-Zn(2+) purple acid phosphatase	P80366	Phaseolus vulgaris	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.264 Low confidence Statistical Significance 0.0044 Supporting Reference Compounds 1 E-value 34.6429
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.27 Low confidence Statistical Significance 0.1851 Supporting Reference Compounds 497 E-value 1441.22
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.283 Low confidence Statistical Significance 0.2911 Supporting Reference Compounds 996 E-value 2266.58
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.27 Low confidence Statistical Significance 0.2107 Supporting Reference Compounds 553 E-value 1640.21
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.3078 Supporting Reference Compounds 1017 E-value 2395.97
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.2883 Supporting Reference Compounds 934 E-value 2244.24
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.34 Supporting Reference Compounds 1274 E-value 2647.18
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.3754 Supporting Reference Compounds 1660 E-value 2922.69
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.2686 Supporting Reference Compounds 807 E-value 2090.95
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.3443 Supporting Reference Compounds 1301 E-value 2680.35
Click to view 3D structure	Serine/threonine-protein kinase Nek2	P51955	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.283 Low confidence Statistical Significance 0.2405 Supporting Reference Compounds 660 E-value 1872.35
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.302 Statistical Significance 0.2613 Supporting Reference Compounds 735 E-value 2034.43
Click to view 3D structure	GMP synthase [glutamine-hydrolyzing]	Q3THK7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.5763
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.283 Low confidence Statistical Significance 0.1221 Supporting Reference Compounds 263 E-value 950.383
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.283 Low confidence Statistical Significance 0.3235 Supporting Reference Compounds 1010 E-value 2518.73
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.283 Low confidence Statistical Significance 0.2862 Supporting Reference Compounds 785 E-value 2228.28
Click to view 3D structure	Serine/threonine-protein kinase Chk2	O96017	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.283 Low confidence Statistical Significance 0.2194 Supporting Reference Compounds 537 E-value 1708.17
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.283 Low confidence Statistical Significance 0.3082 Supporting Reference Compounds 905 E-value 2399.0
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.271 Low confidence Statistical Significance 0.1523 Supporting Reference Compounds 450 E-value 1185.8
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.257 Low confidence Statistical Significance 0.3844 Supporting Reference Compounds 1157 E-value 2992.45
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.257 Low confidence Statistical Significance 0.3032 Supporting Reference Compounds 797 E-value 2360.62
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.257 Low confidence Statistical Significance 0.3085 Supporting Reference Compounds 763 E-value 2401.49
Click to view 3D structure	Serine/threonine-protein kinase TBK1	Q9UHD2	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.257 Low confidence Statistical Significance 0.1968 Supporting Reference Compounds 335 E-value 1532.07