Zalunfiban (CED0023257)

Record Information

Version

1.0

Creation Date

2026-04-15 16:08:53 UTC

Update Date

2026-08-19 16:04:45 UTC

SynCED ID

CED0023257

Secondary Accession Numbers

CHEM135996

Identification

Common Name

Zalunfiban

Class

Small Molecule

Description

Zalunfiban belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C16H18N8O2S and an average molecular weight of 386.43 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₈N₈O₂S

Average Molecular Mass

386.430 g/mol

Monoisotopic Mass

386.127 g/mol

CAS Registry Number

1448313-27-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NCC(=O)NC1=CN=CC(=C1)C1=NN2C(S1)=NC(=CC2=O)N1CCNCC1

InChI Identifier

InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25)

InChI Key

LTVKZVGAALCRFW-UHFFFAOYSA-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2118.0 Log mg/kg [1200:3800]	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
ST-elevation myocardial infarction	Not Available	Not Available	Not Available	PMC9767310

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem

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	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.258 Low confidence Statistical Significance 0.4615 Supporting Reference Compounds 764 E-value 3592.43
Click to view 3D structure	MAP kinase-activated protein kinase 2	P49137	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.258 Low confidence Statistical Significance 0.4426 Supporting Reference Compounds 679 E-value 3445.92
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.258 Low confidence Statistical Significance 0.5203 Supporting Reference Compounds 1029 E-value 4050.26
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.297 Low confidence Statistical Significance 0.165 Supporting Reference Compounds 823 E-value 1284.36
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.309 Statistical Significance 0.4241 Supporting Reference Compounds 1498 E-value 3301.51
Click to view 3D structure	Serine/threonine-protein kinase D1	Q15139	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.289 Low confidence Statistical Significance 0.0574 Supporting Reference Compounds 120 E-value 447.088
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.297 Low confidence Statistical Significance 0.2427 Supporting Reference Compounds 955 E-value 1889.71
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.271 Low confidence Statistical Significance 0.3167 Supporting Reference Compounds 906 E-value 2465.17
Click to view 3D structure	Serine/threonine-protein kinase D2	Q9BZL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.289 Low confidence Statistical Significance 0.2571 Supporting Reference Compounds 604 E-value 2001.89
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.273 Low confidence Statistical Significance 0.349 Supporting Reference Compounds 996 E-value 2717.17
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.273 Low confidence Statistical Significance 0.3152 Supporting Reference Compounds 727 E-value 2453.57
Click to view 3D structure	Dual specificity protein kinase CLK3	P49761	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.273 Low confidence Statistical Significance 0.0992 Supporting Reference Compounds 167 E-value 772.576
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.286 Low confidence Statistical Significance 0.0697 Supporting Reference Compounds 180 E-value 542.92
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.264 Low confidence Statistical Significance 0.3725 Supporting Reference Compounds 905 E-value 2899.96
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.263 Low confidence Statistical Significance 0.273 Supporting Reference Compounds 686 E-value 2125.36
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.258 Low confidence Statistical Significance 0.3851 Supporting Reference Compounds 797 E-value 2998.05
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.264 Low confidence Statistical Significance 0.4401 Supporting Reference Compounds 1158 E-value 3426.38
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.264 Low confidence Statistical Significance 0.4806 Supporting Reference Compounds 1274 E-value 3741.43
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.297 Low confidence Statistical Significance 0.3365 Supporting Reference Compounds 953 E-value 2619.7
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.271 Low confidence Statistical Significance 0.4926 Supporting Reference Compounds 1301 E-value 3834.77
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.297 Low confidence Statistical Significance 0.2536 Supporting Reference Compounds 541 E-value 1974.57
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.258 Low confidence Statistical Significance 0.5592 Supporting Reference Compounds 1660 E-value 4353.02
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.271 Low confidence Statistical Significance 0.5263 Supporting Reference Compounds 1130 E-value 4097.05
Click to view 3D structure	Tyrosine-protein kinase receptor TYRO3	Q06418	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.258 Low confidence Statistical Significance 0.3919 Supporting Reference Compounds 543 E-value 3050.99
Click to view 3D structure	Tyrosine-protein kinase Mer	Q12866	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.258 Low confidence Statistical Significance 0.1893 Supporting Reference Compounds 196 E-value 1473.53