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Ligand

NameCHEMBL3814185
Molecular formulaC18H19NO2S
IUPAC name4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
Molecular weight313.415
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
SynonymsASN 09857957
4-(4-tert-Butyl-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
AC1LT07U
BDBM50178944
4-[(4-tert-butylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
[ Show all ]
Inchi KeyDXRXLWDGEYKPAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19NO2S/c1-18(2,3)13-6-4-12(5-7-13)11-19-14-8-9-22-16(14)10-15(19)17(20)21/h4-10H,11H2,1-3H3,(H,20,21)
PubChem CID1448028
ChEMBLCHEMBL3814185
IUPHARN/A
BindingDB50178944
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
523636C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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