KVD900   Click here for help

GtoPdb Ligand ID: 11947

Compound class: Synthetic organic
Comment: KVD900 is an oral plasma kallikrein (KLKB1) inhibitor that is being developed by KalVista Pharmaceuticals as a therapeutic option that is intended for use early upon the onset of hereditary angioedema (HAE) attacks [1]. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 100.27
Molecular weight 477.18
XLogP 3.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O
Isomeric SMILES COc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
InChI InChI=1S/C25H24FN5O4/c1-34-21-10-11-27-20(23(21)26)13-28-24(33)19-16-31(29-25(19)35-2)15-18-8-6-17(7-9-18)14-30-12-4-3-5-22(30)32/h3-12,16H,13-15H2,1-2H3,(H,28,33)
InChI Key QTNIRGIZAWMZRE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-methoxy-1-({4-[(2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide
Database Links Click here for help
GtoPdb PubChem SID 461663502
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