Details of the Drug

General Information of Drug (ID: DMTROUI)

Drug Name
Zavegepant
Synonyms Vazegepant; UNII-ODU3ZAZ94J; ODU3ZAZ94J; BHV-3500; BDBM50436107
Indication
Disease Entry ICD 11 Status REF
Migraine 8A80 Approved [1]
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 2 [2]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 638.8
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C36H46N8O3
IUPAC Name
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
Canonical SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O
InChI
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
InChIKey
JJVAPHYEOZSKJZ-JGCGQSQUSA-N
Cross-matching ID
PubChem CID
53472683
CAS Number
1337918-83-8
DrugBank ID
DB15688
TTD ID
D0IA9Y
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcitonin gene-related peptide receptor (CGRPR) TTY6O0Q CALRL_HUMAN Inhibitor [2]
HUMAN calcitonin gene-related peptide type 1 receptor (CALCRL) TT67OLB CALRL_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 216386.
2 Safety and Efficacy Trial of Zavegepant* Intranasal for Hospitalized Patients With COVID-19 Requiring Supplemental Oxygen