risvodetinib   Click here for help

GtoPdb Ligand ID: 12383

Synonyms: Compound 809 [US20200046699A1]
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN risvodetinib. The structure is claimed in patent US20200046699A1 as an inhibitor of Abelson-family tyrosine kinases (ATKs), for treating or preventing Parkinson's disease [1]. Online evidence suggests that this might be Inhibikase Therapeutics' c-Abl kinase inhibitor IkT-148009.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 112.31
Molecular weight 574.28
XLogP 3.89
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncc(c1)c1oncc1C)C
Isomeric SMILES Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nccc(n1)c1cc(cnc1)c1c(cno1)C
InChI InChI=1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
12502 risvodetinib
Synonyms Click here for help
Compound 809 [US20200046699A1]
Database Links Click here for help
BindingDB Ligand 481128
CAS Registry No. 2031185-00-7 (source: WHO INN record)
GtoPdb PubChem SID 479821174
PubChem CID 122650693
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UniChem Compound Search for chemical match using the InChIKey ADGOPPKEIZXKAZ-UHFFFAOYSA-N
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