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Ligand

NameBDBM54738
Molecular formulaC19H17N5O3S
IUPAC name1-(4-ethoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrole-2,5-diol
Molecular weight395.437
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
Synonyms3-[(1-phenyltetrazol-5-yl)thio]-1-p-phenetyl-pyrrolidine-2,5-quinone
cid_2927213
1-(4-ethoxyphenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
1-(4-ethoxyphenyl)-3-[(1-phenyl-5-tetrazolyl)thio]pyrrolidine-2,5-dione
Inchi KeyBELAMBGTLPYUDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17N5O3S/c1-2-27-15-10-8-13(9-11-15)23-17(25)12-16(18(23)26)28-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-12,25-26H,2H2,1H3
PubChem CID136664494
ChEMBLN/A
IUPHARN/A
BindingDB54738
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
557948C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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