Pico145   Click here for help

GtoPdb Ligand ID: 10291

Synonyms: C31 [2] | compound 31 [PMID: 28325835]
PDB Ligand
Compound class: Synthetic organic
Comment: Pico145 is a potent, selective, and subtype-specific small-molecule inhibitor of TRPC1/4/5 channels [2]. It competitively inhibits AM237-induced TRPC5 activation [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 100.51
Molecular weight 524.11
XLogP 6.61
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F
Isomeric SMILES OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F
InChI InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3
InChI Key PRJHEJGMSOBHTO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione
Synonyms Click here for help
C31 [2] | compound 31 [PMID: 28325835]
Database Links Click here for help
GtoPdb PubChem SID 381744972
PubChem CID 85473438
RCSB PDB Ligand PJQ
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UniChem Connectivity Search for chemical match using the InChIKey PRJHEJGMSOBHTO-UHFFFAOYSA-N