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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H46N8O3
Molecular Weight 638.8022
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZAVEGEPANT

SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](CC3=CC4=C(NN=C4)C(C)=C3)NC(=O)N5CCC(CC5)C6=CC7=C(NC6=O)C=CC=C7

InChI

InChIKey=JJVAPHYEOZSKJZ-JGCGQSQUSA-N
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

HIDE SMILES / InChI

Molecular Formula C36H46N8O3
Molecular Weight 638.8022
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:09:41 UTC 2023
Edited
by admin
on Sat Dec 16 15:09:41 UTC 2023
Record UNII
ODU3ZAZ94J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZAVEGEPANT
USAN   INN  
Official Name English
ZAVEGEPANT [USAN]
Common Name English
zavegepant [INN]
Common Name English
VAZEGEPANT
Common Name English
BHV-3500
Code English
BMS-742413-01
Code English
BMS-742413
Code English
1-PIPERIDINECARBOXAMIDE, 4-(1,2-DIHYDRO-2-OXO-3-QUINOLINYL)-N-((1R)-1-((7-METHYL-1H-INDAZOL-5-YL)METHYL)-2-(4-(1-METHYL-4-PIPERIDINYL)-1-PIPERAZINYL)-2-OXOETHYL)-
Systematic Name English
4-(1,2-DIHYDRO-2-OXO-3-QUINOLINYL)-N-((1R)-1-((7-METHYL-1H-INDAZOL-5-YL)METHYL)-2-(4-(1-METHYL-4-PIPERIDINYL)-1-PIPERAZINYL)-2-OXOETHYL)-1-PIPERIDINECARBOXAMIDE
Systematic Name English
Code System Code Type Description
SMS_ID
300000028889
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
CAS
1337918-83-8
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
USAN
GH-195
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
FDA UNII
ODU3ZAZ94J
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
PUBCHEM
53472683
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
DRUG BANK
DB15688
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
INN
11512
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
NCI_THESAURUS
C172616
Created by admin on Sat Dec 16 15:09:41 UTC 2023 , Edited by admin on Sat Dec 16 15:09:41 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
BINDING
Ki