GSK2833503A   

GtoPdb Ligand ID: 10284

Synonyms: example 19 [PMID: 23886683] | GSK255B
Compound class: Synthetic organic
Comment: GSK2833503A is a TRPC3/6 ion channel blocker [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 73.47
Molecular weight 381.11
XLogP 3.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC1CCCN(C1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl
Isomeric SMILES C[C@H]1CCCN([C@H]1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl
InChI InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1
InChI Key ODUIXUGXPFKQLG-QWRGUYRKSA-N
Classification
Compound class Synthetic organic
Synonyms
example 19 [PMID: 23886683] | GSK255B
Database Links
BindingDB Ligand 50439217
GtoPdb PubChem SID 381744965
PubChem CID 71818575
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Search UniChem for chemical match using the InChIKey ODUIXUGXPFKQLG-QWRGUYRKSA-N
Search UniChem for chemicals with the same backbone ODUIXUGXPFKQLG