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Ligand

NameAVE 0991
Molecular formulaC29H32N4O5S2
IUPAC name1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
Molecular weight580.718
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.6
SynonymsGTPL5579
AVE0991
C29H32N4O5S2
MolPort-019-995-543
2-Thiophenesulfonamide, N-((ethylamino)carbonyl)-3-(4-((5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl)phenyl)-5-(2-methylpropyl)-
[ Show all ]
Inchi KeyQTOZBSNPDCWHPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)
PubChem CID9851724
ChEMBLN/A
IUPHAR5579
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
554694Proto-oncogene MasP30554Mas1Mus musculus (Mouse)324

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