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Ligand

NameCHEMBL3717974
Molecular formulaC33H33N5O5S2
IUPAC nameN-(1-cyclopropylethyl)-4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide
Molecular weight643.777
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.9
SynonymsBDBM176280
SCHEMBL16603386
US9688695, 313
Inchi KeyBBOMGNKXFZPENL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33N5O5S2/c1-5-12-37(19(2)20-6-7-20)31(39)22-10-8-21(9-11-22)30-34-23(18-44-30)17-42-27-13-24(40-3)14-28-25(27)15-29(43-28)26-16-38-32(35-26)45-33(36-38)41-4/h8-11,13-16,18-20H,5-7,12,17H2,1-4H3
PubChem CID117981595
ChEMBLCHEMBL3717974
IUPHARN/A
BindingDB176280
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522043Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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