Zavegepant (CED0014205)

Record Information

Version

1.0

Creation Date

2026-04-14 20:24:34 UTC

Update Date

2026-08-22 11:55:52 UTC

SynCED ID

CED0014205

Secondary Accession Numbers

CHEM133286

Identification

Common Name

Zavegepant

Class

Small Molecule

Description

Zavegepant is an organic compound with the formula C36H46N8O3. Zavegepant belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 638.82 g/mol, Zavegepant is a heavy molecule. It acts as an antagonist of the Calcitonin gene-related peptide type 1 receptor (CALCRL). This compound is utilized in healthcare, pharmaceuticals, and veterinary products as an analgesic and is administered via the nasal exposure route.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₆H₄₆N₈O₃

Average Molecular Mass

638.817 g/mol

Monoisotopic Mass

638.369 g/mol

CAS Registry Number

1337918-83-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2

InChI Identifier

InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1

InChI Key

JJVAPHYEOZSKJZ-JGCGQSQUSA-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

antagonist (PMC13397993 )?Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.

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
894.0 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
migraine	Not Available	Not Available	A brain disease that is characterized by moderate to severe headaches, nausea, extreme sensitivity to light and sound and intense unilaterial throbbing or pulsing. (DO)	PMC12255647 , PMC12029675

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000370	Analgesics?Analgesics are a class of synthetic chemicals designed to alleviate pain.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000651	Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.	Textiles, leather & furnishings	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	Calcitonin gene-related peptide type 1 receptor	Q16602	Humans	Predicted (SEA)	Prediction Confidence Score 0.476 Applicability Domain 0.617 Statistical Significance 6.00e-05 Supporting Reference Compounds 11 E-value 0.467095
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.396 Applicability Domain 0.617 Statistical Significance 0.0227 Supporting Reference Compounds 1538 E-value 176.873
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.576 Statistical Significance 0.0783 Supporting Reference Compounds 1130 E-value 609.715
Click to view 3D structure	Calcitonin gene-related peptide 1	P06881	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.648 Statistical Significance 9.00e-05 Supporting Reference Compounds 5 E-value 0.700643
Click to view 3D structure	5-hydroxytryptamine receptor 1F	P30939	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.302 Statistical Significance 0.0045 Supporting Reference Compounds 45 E-value 35.4214
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.302 Statistical Significance 0.1101 Supporting Reference Compounds 953 E-value 856.809
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.302 Statistical Significance 0.0509 Supporting Reference Compounds 365 E-value 396.33
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.302 Statistical Significance 0.0529 Supporting Reference Compounds 337 E-value 412.056
Click to view 3D structure	Acetylcholinesterase	Q6A2E2	Aedes aegypti	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.29 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 2 E-value 40.4816
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.323 Statistical Significance 0.1701 Supporting Reference Compounds 1103 E-value 1324.45
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.323 Statistical Significance 0.0801 Supporting Reference Compounds 373 E-value 623.961
Click to view 3D structure	Calcitonin gene-related peptide type 1 receptor	Q63118	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.576 Statistical Significance 1.10e-04 Supporting Reference Compounds 5 E-value 0.856341
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.323 Statistical Significance 0.0617 Supporting Reference Compounds 266 E-value 480.719
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.323 Statistical Significance 0.0689 Supporting Reference Compounds 310 E-value 536.693
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.323 Statistical Significance 0.0666 Supporting Reference Compounds 297 E-value 518.632
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.323 Statistical Significance 0.0964 Supporting Reference Compounds 385 E-value 750.389
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.281 Low confidence Statistical Significance 0.1701 Supporting Reference Compounds 686 E-value 1323.9
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.265 Low confidence Statistical Significance 0.2536 Supporting Reference Compounds 764 E-value 1974.26
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.281 Low confidence Statistical Significance 0.2091 Supporting Reference Compounds 823 E-value 1628.14
Click to view 3D structure	Leucine-rich repeat serine/threonine-protein kinase 2	Q5S007	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.283 Low confidence Statistical Significance 0.1617 Supporting Reference Compounds 336 E-value 1259.13
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.281 Low confidence Statistical Significance 0.2347 Supporting Reference Compounds 955 E-value 1827.51
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.271 Low confidence Statistical Significance 0.2977 Supporting Reference Compounds 927 E-value 2317.96
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.271 Low confidence Statistical Significance 0.3582 Supporting Reference Compounds 1301 E-value 2788.71
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.265 Low confidence Statistical Significance 0.2634 Supporting Reference Compounds 708 E-value 2050.47
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.269 Low confidence Statistical Significance 0.0397 Supporting Reference Compounds 73 E-value 309.373