N,N`-bis-alkyl butylimmidazole 12b   Click here for help

GtoPdb Ligand ID: 6911

Synonyms: compound 12b [PMID: 23376252] [1]
Compound class: Synthetic organic
Comment: The representation of this compoound on PubChem shows a different tautomer, linked to above.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]
Isomeric SMILES CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]
InChI InChI=1S/C35H29N10.BrH.2Na/c1-2-3-12-33-32(21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34)36-23-45(33)22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35;;;/h4-11,13-20H,2-3,12,21-22H2,1H3;1H;;/q-1;;2*+1/p-1
InChI Key BFASNXRKCVRLPK-UHFFFAOYSA-M
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
AT1 receptor Hs Antagonist Antagonist 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.5x10-9 M) [1]