GFB-8438   Click here for help

GtoPdb Ligand ID: 12527

Synonyms: GFB8438
PDB Ligand
Compound class: Synthetic organic
Comment: GFB-8438 is a selective TRPC5 channel blocker [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 65.01
Molecular weight 386.76
XLogP 2.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC(=C(C=C1)C(F)(F)F)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl
Isomeric SMILES C1CN(C(=O)CN1C2=C(C(=O)NN=C2)Cl)CC3=CC=CC=C3C(F)(F)F
InChI InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
InChI Key MITRKIWBJVJRAM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-chloro-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
Synonyms Click here for help
GFB8438
Database Links Click here for help
BindingDB Ligand 50529421
CAS Registry No. 2304549-73-1 (source: PubChem)
ChEMBL Ligand CHEMBL4530872
GtoPdb PubChem SID 479821317
PubChem CID 138471783
RCSB PDB Ligand S9Q
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