Ramosetron (CED0007785)

Record Information

Version

1.0

Creation Date

2026-04-05 12:01:09 UTC

Update Date

2026-08-19 19:31:32 UTC

SynCED ID

CED0007785

Secondary Accession Numbers

CHEM100905

Identification

Common Name

Ramosetron

Class

Small Molecule

Description

Ramosetron is an organic compound with the formula C17H17N3O and an average molecular weight of 279.34 g/mol. It is classified as an organoheterocyclic compound. Ramosetron belongs to the n-alkylindoles, a subclass of indoles and derivatives within the organic compounds. Regarding its pharmacological activity, one protein target is recorded for this compound, which acts as an antagonist of the 5-hydroxytryptamine receptor 3A (HTR3A).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₁₇N₃O

Average Molecular Mass

279.343 g/mol

Monoisotopic Mass

279.137 g/mol

CAS Registry Number

132036-88-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2

InChI Identifier

InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1

InChI Key

NTHPAPBPFQJABD-LLVKDONJSA-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

antiemetic (PMC9666202 )?

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 GC-MS	Predicted GC-MS Spectrum	splash10-0zgl-4960000000-1a9861736f1b6fb9baa6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0190000000-3ac507a337dd58f8efe6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-1970000000-e68bbd9c7ed98d7eb85f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-7900000000-931f1bdf5db87106439d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0090000000-550a674a607af8ae4d3d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0390000000-dcbc482c5c0665847c71	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03ec-4930000000-ed78875b4cf5f60dc2b4	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
895.0 Log mg/kg [500:1600]	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	Description	Reference
Postoperative Pain	Not Available	Not Available	Not Available	PMC9666202
Postoperative Nausea and Vomiting	Not Available	Not Available	Not Available	PMC9666202

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs01826	Glass Bottles	Packaging	PMC9666202

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.304 Statistical Significance 0.0259 Supporting Reference Compounds 258 E-value 201.318
Click to view 3D structure	Protein kinase C gamma type	P63319	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.31 Statistical Significance 9.30e-04 Supporting Reference Compounds 13 E-value 7.23998
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.304 Statistical Significance 0.0272 Supporting Reference Compounds 189 E-value 211.594
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.308 Statistical Significance 0.1573 Supporting Reference Compounds 967 E-value 1224.96
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.304 Statistical Significance 0.0965 Supporting Reference Compounds 552 E-value 751.167
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.308 Statistical Significance 0.1707 Supporting Reference Compounds 1017 E-value 1328.89
Click to view 3D structure	Protein kinase C beta type	P68403	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.291 Low confidence Statistical Significance 4.50e-04 Supporting Reference Compounds 2 E-value 3.50322
Click to view 3D structure	Protein kinase C epsilon type	P09216	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.291 Low confidence Statistical Significance 4.50e-04 Supporting Reference Compounds 2 E-value 3.50322
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.304 Statistical Significance 0.0137 Supporting Reference Compounds 175 E-value 106.809
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.297 Low confidence Statistical Significance 0.036 Supporting Reference Compounds 228 E-value 280.024
Click to view 3D structure	Calcium/calmodulin-dependent protein kinase type II subunit delta	Q13557	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.304 Statistical Significance 0.1278 Supporting Reference Compounds 506 E-value 994.602
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.304 Statistical Significance 0.142 Supporting Reference Compounds 681 E-value 1105.54
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.2357 Supporting Reference Compounds 1157 E-value 1834.59
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.304 Statistical Significance 0.0319 Supporting Reference Compounds 145 E-value 248.028
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.312 Statistical Significance 0.1516 Supporting Reference Compounds 497 E-value 1179.96
Click to view 3D structure	5-hydroxytryptamine receptor 4	Q13639	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.385 Statistical Significance 0.0248 Supporting Reference Compounds 101 E-value 192.988
Click to view 3D structure	NAD-dependent protein deacetylase sirtuin-2	Q8IXJ6	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.312 Statistical Significance 0.0059 Supporting Reference Compounds 34 E-value 46.3203
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.312 Statistical Significance 0.1771 Supporting Reference Compounds 553 E-value 1378.63
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.312 Statistical Significance 0.113 Supporting Reference Compounds 317 E-value 880.085
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.312 Statistical Significance 0.1046 Supporting Reference Compounds 307 E-value 814.303
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.306 Statistical Significance 0.0136 Supporting Reference Compounds 83 E-value 105.641
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.333 Statistical Significance 0.1279 Supporting Reference Compounds 593 E-value 995.614
Click to view 3D structure	Protein kinase C zeta type	Q05513	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.304 Statistical Significance 0.174 Supporting Reference Compounds 508 E-value 1354.58
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.291 Low confidence Statistical Significance 0.2536 Supporting Reference Compounds 754 E-value 1974.49
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.291 Low confidence Statistical Significance 0.2905 Supporting Reference Compounds 1029 E-value 2261.75