U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9N3O4
Molecular Weight 199.1641
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-WILLARDIINE

SMILES

N[C@@H](CN1C=CC(=O)NC1=O)C(O)=O

InChI

InChIKey=FACUYWPMDKTVFU-BYPYZUCNSA-N
InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H9N3O4
Molecular Weight 199.1641
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: AMPA/kainate receptors (Mus musculus)
44.8 µM [EC50]
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:59:02 GMT 2025
Edited
by admin
on Tue Apr 01 16:59:02 GMT 2025
Record UNII
X2R4I0X4W9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-WILLARDIINE
Common Name English
(-)-WILLARDIINE
Preferred Name English
(S)-WILLARDIINE
Common Name English
1(2H)-PYRIMIDINEPROPANOIC ACID, .ALPHA.-AMINO-3,4-DIHYDRO-2,4-DIOXO-, (.ALPHA.S)-
Systematic Name English
WILLARDIINE
Common Name English
(2S)-2-AMINO-3-(2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
21416-43-3
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
PRIMARY
FDA UNII
X2R4I0X4W9
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
PRIMARY
CHEBI
15851
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
PRIMARY
PUBCHEM
440053
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
PRIMARY
DRUG BANK
DB04129
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
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EPA CompTox
DTXSID201017167
Created by admin on Tue Apr 01 16:59:02 GMT 2025 , Edited by admin on Tue Apr 01 16:59:02 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST