sebetralstat   Click here for help

GtoPdb Ligand ID: 11947

Synonyms: compound 14w [PMID: 36251573] | KVD-900 | KVD900
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 [2]. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. Formal disclosure was in J. Med. Chem. in October 2022 [1], and this associated KVD900 with the INN sebetralstat.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 100.27
Molecular weight 491.52
XLogP 2.86
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O
Isomeric SMILES COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O
InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11529 sebetralstat
Synonyms Click here for help
compound 14w [PMID: 36251573] | KVD-900 | KVD900
Database Links Click here for help
CAS Registry No. 1933514-13-6 (source: WHO INN record)
GtoPdb PubChem SID 461663502
PubChem CID 121365142
Search Google for chemical match using the InChIKey KGMPDQIYDKKXRD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KGMPDQIYDKKXRD
Search PubMed clinical trials sebetralstat
Search PubMed titles sebetralstat
Search PubMed titles/abstracts sebetralstat
UniChem Compound Search for chemical match using the InChIKey KGMPDQIYDKKXRD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KGMPDQIYDKKXRD-UHFFFAOYSA-N